With over three decades of experience in artificial intelligence and knowledge management for target and drug discovery, Dr. Tudor I. Oprea is a digital drug hunter who proposed key concepts like ChemGPS, the "lead-like approach," systems chemical biology, and the knowledge-based classification of human proteins.
Oprea's drug discovery contributions include the co-discovery of the first GPER agonist (IND in 2019 and orphan drug designation in 2021), several GPER antagonists and GLUT transporter inhibitors. Three drugs he co-invented progressed to Phase I clinical trials: Raltegravir (NCT01275183) and R-Ketorolac (NCT01670799) as anti-cancer agents; and LNS8801, a GPER agonist, has also received IND clearance and orphan drug designation for metastatic uveal melanoma (NCT04130516). His validated machine learning models encompass diseases, targets, and chemicals, with significant impact in disease and chemical biology.
Following a six-year tenure at AstraZeneca Gothenburg, he held Professorship appointments at the University of New Mexico School of Medicine and the Technical University of Denmark, and guest professorships at the Universities of Perugia, Copenhagen, and Gothenburg. Currently, he serves as the CEO at Expert Systems Inc in San Diego, and Professor Emeritus at UNM School of Medicine.
Dr. Oprea has co-authored over 400 publications and book chapters, holds 12 granted US patents, and served as the Principal Investigator for the NIH project "Illuminating the Druggable Genome Knowledge Management Center" from 2014 to 2022. This project resulted in the development of Pharos (pharos.nih.gov) and DrugCentral (drugcentral.org). Recipient of the Hansch Award in 2002 and the Fujita Award in 2026 (www.qsar.org). He continues to pursue his interest in machine learning and artificial intelligence for drug discovery, repurposing, and the study of disease and target biology.
Research Areas
Data science | Drug Discovery (UMLS) | Pharmacologic (UMLS) | bioinformatics (UMLS) | cheminformatics (UMLS) | drug repositioning (UMLS) | machine learning (UMLS) | physiology (UMLS) | translational research (UMLS)
Research Identifiers
ORCID iD:
https://orcid.org/0000-0002-6195-6976
Biography
With over three decades of experience in artificial intelligence and knowledge management for target and drug discovery, Dr. Tudor I. Oprea is a digital drug hunter who proposed key concepts like ChemGPS, the "lead-like approach," systems chemical biology, and the knowledge-based classification of human proteins. Oprea's drug discovery contributions include the co-discovery of the first GPER agonist (IND in 2019 and orphan drug designation in 2021), several GPER antagonists and GLUT transporter inhibitors. Three drugs he co-invented progressed to Phase I clinical trials: Raltegravir (NCT01275183) and R-Ketorolac (NCT01670799) as anti-cancer agents; and LNS8801, a GPER agonist, has also received IND clearance and orphan drug designation for metastatic uveal melanoma (NCT04130516). His validated machine learning models encompass diseases, targets, and chemicals, with significant impact in disease and chemical biology. Following a six-year tenure at AstraZeneca Gothenburg, he held Professorship appointments at the University of New Mexico School of Medicine and the Technical University of Denmark, and guest professorships at the Universities of Perugia, Copenhagen, and Gothenburg. Currently, he serves as the CEO at Expert Systems Inc in San Diego, and Professor Emeritus at UNM School of Medicine. Dr. Oprea has co-authored over 400 publications and book chapters, holds 12 granted US patents, and served as the Principal Investigator for the NIH project "Illuminating the Druggable Genome Knowledge Management Center" from 2014 to 2022. This project resulted in the development of Pharos (pharos.nih.gov) and DrugCentral (drugcentral.org). Recipient of the Hansch Award in 2002 and the Fujita Award in 2026 (www.qsar.org). He continues to pursue his interest in machine learning and artificial intelligence for drug discovery, repurposing, and the study of disease and target biology.
Keywords
drug discovery
cheminformatics
drug repurposing
knowledge management
artificial intelligence
cancer biology
virtual screening
lead discovery
chemical probes
translational informatics
QSAR
machine learning
data science
data mining
structure-activity relationships
systems biology
bioinformatics
medical informatics
Funding (6)
ILLUMINATING THE DRUGGABLE GENOME KNOWLEDGE MANAGEMENT CENTER (IDG KMC) ✓ NIH
2014-08 to 2016-07 | Award
NIH Office of the Director (MD, MD, US)
Homepage URL: http://commonfund.nih.gov/idg/fundedresearch
GRANT_NUMBER: 1U54CA189205
Show more detailOrganization identifiers
NIH Office of the Director: MD, MD, US
📋 Enriched Project Title (from NIH)
Illuminating the Druggable Genome Knowledge Management Center (IDG KMC)
📄 Project Abstract (from NIH)
DESCRIPTION: The overall goal of the Illuminating the Druggable Genome Knowledge Management Center (IDG KMC) is to evaluate and organize (via the Data Organizing Core, DOC), present and visualize (via the User Interface Portal, UIP) and rank (in cooperation with the IDG Consortium) all prospective disease-linked proteins, as potential druggable targets for four protein superfamilies: G-protein-coupled receptors (GPCRs), nuclear receptors (NRs), ion channels (IC) and kinases. By combining data extracted from multiple sources, coupled with algorithmic processing, prediction and human curation, the emerging knowledge will be associated with the appropriate proteins. The KMC will link disease, pathway, protein, gene, chemical, bioactivity, drug discovery and clinical information elements from databases, literature, patents and other documents in the DOC "Target Central" Resource Database. TCRD will serve as primary source for the IDG Query Platform, the UlP-developed system that will enable scientists to access, visualize and analyze IDG-specific data. Coordinating DOC and UIP activities, the Administrative Core, AC, will assist with human curation by organizing class-specific External Target Panels to categorize proteins into 4 classes (Tclin - clinical; Tchem
- manipulated by chemicals; Tmacro - manipulated by macromolecules; and Tdark - the genomic "dark
matter"). Tissue and cellular localization for both disease and protein will serve as central filtes for ranking. The specific aims of the KMC are based on the demonstrated experience of the Oprea-Sklar team at the University of New Mexico (data capture, processing, mining and modeling), and the Simeonov-led team at NCATS (software development, visualization and modeling), supported by teams based in Denmark, Florida and UK. Using automated tools, we performed disease-protein associations for each protein superfamily, obtained preliminary stratification (e.g., Tclin 22%, Tdark 30%), and designed Specific Aims that enable us to further annotate this genome subset. It is expected that within 12 months, the TCRD-based IDG Querly Platform will be operational, which may dramatically improve the target prioritization process for the research community at large and the IDG Consortium, in exploring "dark matter" for GPCRs, NRs, ICs and kinases.
👤 Principal Investigator(s) (from NIH)
TUDOR I OPREA
🏛️ Recipient Organization (from NIH)
UNIVERSITY OF NEW MEXICO HEALTH SCIS CTR (ALBUQUERQUE, NM, UNITED STATES)
📅 Project Dates (from NIH)
Start: 2014-08-01T00:00:00
End: 2016-07-31T00:00:00
End: 2016-07-31T00:00:00
💰 Award Amount (from NIH)
$2,098,402
📊 Fiscal Year (from NIH)
2014
🏷️ Activity Code (from NIH)
U54
🔢 Project Number (from NIH)
1U54CA189205-01
🔗 Full Project Record (from NIH)
Added
2014-08-22
Last modified
2015-07-16
Source:
Tudor Oprea
| ✓ Enriched from NIH
Tudor Oprea
| ✓ Enriched from NIH
Chemical Pattern Detection and Visualization in Biological Networks ✓ NIH
2011-01-01 to 2013-11-30 | Grant
National Institute of General Medical Sciences (Bethesda, US)
Homepage URL: http://grants.uberresearch.com/100000057/R21GM095952/Chemical-Pattern-Detection-and-Visualization-in-Biological-Networks
GRANT_NUMBER: 5R21GM095952-02
Show more detailOrganization identifiers
National Institute of General Medical Sciences: Bethesda, US
📄 Project Abstract (from NIH)
DESCRIPTION (provided by applicant): While the massive amount of molecular bioactivity data creates new opportunities, it also hinders the way scientists conduct biomedical research due to the inherent difficulty of processing many separate and heterogeneous data sources. The quality and type of data input often limits the project outcome. To improve research outcome, access to all available data and multiple alternative hypothesis testing are essential. Targeting less experienced end-users, we will develop tools that facilitate "jumps" in the small molecule / bioactivity / biomedical data area, leading from one potential solution to another, encouraging users to explore multiple, alternate hypotheses. We will integrate data from multiple bioactivity databases, including PubChem, ChemBank, ChEMBL, PDSP and WOMBAT, into one centralized system. We will develop advanced chemical pattern recognition algorithms and deliver a Cytoscape-based visualization tool for the global exploration of relationships between chemical patterns and biological activities/targets. We will achieve this via three Specific Aims: 1. Create one simple unified interface for many heterogeneous databases, CARLSBAD (Confederated Annotated Research Libraries of Small molecule Biological Activity Data); the data will reconcile small molecule bioactivity data across multiple sources for human, rat and mouse targets. 2. Develop advanced algorithms for chemical pattern detection and annotation; we will detect the Maximum Overlapping Set (MOS) and HierS (hierarchical scaffolds) and annotate chemicals in CARSLBAD accordingly. 3. Develop a Cytoscape plugin for the visualization and exploration of chemical pattern bioactivity networks. Via MOS/HierS patterns, users will be able to identify target specific chemical signatures (determinants for activity and selectivity); in the absence of specific signals, these patterns will serve as rationale for off- target and promiscuous bioactivity prediction. Storing unique target-ligand bioactivity data as well as chemical patterns, CARLSBAD will be designed, implemented and maintained on an enterprise platform for use by the scientific community. The new Cytoscape plugin will integrate with existing core components and plugins to bridge across chemistry and biology in a multi-disciplinary manner.
PUBLIC HEALTH RELEVANCE: The proposed research aims to empower the chemistry and biology research community with an innovative, network-based tool for mining vast amounts of chemical and biological data. It will provide an effective and improved way for researchers to evaluate, visualize and explore small molecule bioactivity data in a multi-disciplinary manner, thus leading to improved output in human health research.
👤 Principal Investigator(s) (from NIH)
TUDOR I OPREA
🏛️ Recipient Organization (from NIH)
UNIVERSITY OF NEW MEXICO HEALTH SCIS CTR (ALBUQUERQUE, NM, UNITED STATES)
📅 Project Dates (from NIH)
Start: 2011-01-01T00:00:00
End: 2013-11-30T00:00:00
End: 2013-11-30T00:00:00
💰 Award Amount (from NIH)
$188,750
📊 Fiscal Year (from NIH)
2012
🏷️ Activity Code (from NIH)
R21
🔢 Project Number (from NIH)
5R21GM095952-02
🔗 Full Project Record (from NIH)
Added
2014-08-22
Last modified
2015-07-16
Source:
DimensionsWizard via Tudor Oprea
| ✓ Enriched from NIH
DimensionsWizard via Tudor Oprea
| ✓ Enriched from NIH
UNIVERSITY OF NEW MEXICO CENTER FOR MOLECULAR DISCOVERY ✓ NIH
2008-10 to 2013-05 | Award
NIH Office of the Director (MD, MD, US)
GRANT_NUMBER: 1U54MH084690
Show more detailOrganization identifiers
NIH Office of the Director: MD, MD, US
📋 Enriched Project Title (from NIH)
University of New Mexico Center for Molecular Discovery
📄 Project Abstract (from NIH)
DESCRIPTION (provided by applicant): The University of New Mexico Center for Molecular Discovery (UNMCMD), a specialty center focusing on multiplexed, HT flow cytometry, continues the New Mexico Molecular Libraries Screening Center (U54MH074425) and a Biomedical Research Partnership (R24EB000264). We invented the HT flow cytometry platform HyperCyt(tm) and introduced it to the MLSCN. Our discovery tools enable homogeneous analysis of ligand binding and/or protein-protein interaction (PPI), multiparameter or high content analysis, and real-time measurements of cell response or binding. We analyze a 384 well plate in 11 min. Completed screens on the MLSMR have produced probes for cell (molecular and phenotypic) and bead-based targets. Experience indicates that most targets can be displayed in a flow cytometry compatible format. By creating a suspension array of particles, targets can be highly multiplexed or performed on complex cell populations
without loss of throughput. Our team has produced >100 publications, >20 inventions, books on Flow
Cytometry for Biotechnology and Virtual Screening, and >100 oral outreach presentations world-wide. We have >150 years of flow cytometry experience that includes applications in biochemistry, and cell and molecular biology compatible with a dual specialization in yeast targets. One of us has >20 years of experience in industrial HTS for >150 novel targets. We have core capabilities that include 1) effective outreach and partnership; 2) identifying and developing innovative targets; 3) implementing external primary and secondary assays; 4) production mode screening of multiplexed targets; and 5) data upload to PubChem. We are uniquely positioned to integrate imaging agents and isotopes into the MLPCN. We intend to innovate in all of our activities. Through outreach, we will create and maintain a pipeline of multiplex assays for the MLPCN. Assay development will include, but not be limited to, yeast, eukaryotic, and profiling targets. We will create mechanisms to prioritize and implement partnerships for profiling targets and probes, including compound solubility, for the MLPCN. We will create tools to analyze and visualize multiplex HTS data sets. We will enhance and maintain collaborative tools for networking with target providers and Chemistry Specialty Centers for screening and follow up, and within the MLPCN for collaborative profiling and compound solubility. One Center Driven Project focuses on increasing throughput (from 384 to 1536 well format) and improving the performance of HT flow cytometry by exploiting recent design and engineering breakthroughs in our Center along with commercial partners. Through collaborative outreach, we will evaluate new discovery technologies emerging from the Los Alamos National Labs P41 National Flow Cytometry Resource. A second Center Driven Project develops a toolbox for yeast targets such as PPI, Pathway analysis, protein-DNA interactions, and a universal, multiplex yeast two-hybrid discovery platform. PUBLIC HEALTH RELEVANCE Novel high throughput flow cytometry technology will be used for the discovery of small molecules that can serve as probes, imaging agents and leads in discovery for multiplexed biological targets. A pipeline of targets will developed through active outreach and consortium building efforts.
👤 Principal Investigator(s) (from NIH)
LARRY A. SKLAR
🏛️ Recipient Organization (from NIH)
UNIVERSITY OF NEW MEXICO HEALTH SCIS CTR (ALBUQUERQUE, NM, UNITED STATES)
📅 Project Dates (from NIH)
Start: 2008-09-01T00:00:00
End: 2014-05-31T00:00:00
End: 2014-05-31T00:00:00
💰 Award Amount (from NIH)
$2,540,346
📊 Fiscal Year (from NIH)
2008
🏷️ Activity Code (from NIH)
U54
🔢 Project Number (from NIH)
1U54MH084690-01
🔗 Full Project Record (from NIH)
Added
2014-08-22
Last modified
2015-07-16
Source:
Tudor Oprea
| ✓ Enriched from NIH
Tudor Oprea
| ✓ Enriched from NIH
Development of GPR30-Selective Ligands ✓ NIH
2008-08-05 to 2014-05-31 | Grant
National Cancer Institute (Bethesda, US)
Homepage URL: http://grants.uberresearch.com/100000054/R01CA127731/Development-of-GPR30-Selective-Ligands
GRANT_NUMBER: 5R01CA127731-05
Show more detailOrganization identifiers
National Cancer Institute: Bethesda, US
📄 Project Abstract (from NIH)
DESCRIPTION (provided by applicant): Estrogen is a critical hormone in the human body that regulates the growth, development and homeostasis of many tissues. Physiological responses to estrogen include the regulation of mammalian reproduction and breast function, central nervous and immune systems, skeletal physiology and vascular function. We have recently described novel functions of the seven transmembrane G protein-coupled estrogen receptor, GPR30. This receptor is activated by both agonists and antagonists of the classical estrogen receptors, ER1 and ER2. Until recently there were no known specific ligands for GPR30, making traditional pharmacological approaches to the study of this receptor difficult. Our recent studies however have combined both virtual and biomolecular screening to discover the first GPR30-selective agonist, G-1. The specific aims of this application are: 1. Perform a combination of virtual and biomolecular screening to identify additional GPR30-specific ligands based on compounds presently known to bind and activate GPR30. Structure-activity analyses will be carried out to determine the critical molecular determinants for GPR30 binding selectivity and activity as compared to classical estrogen receptors. 2. Based on the biomolecular screening results and structure-activity analyses of Aim 1, rationally design and synthesize small libraries (up to 20 compounds per cycle) of novel G-1-based ligands. The goal of this aim is to separate agonism from antagonism within ligands, and to further evaluate the SAR of novel GPR30 ligands through targeted synthetic chemistry. 3. Characterize the biological functions of the compounds identified and synthesized in Aims 1 and 2. A collection of functional bioassays will be employed to characterize the biological effects of the compounds displaying activity. These assays will include intracellular signaling assays such as calcium mobilization, ERK and EGFR phosphorylation and PI3K activation; more complex cellular assays such as transcriptional activation, cell migration and proliferation; and in vivo studies using mouse models. Understanding the pharmacological profile and structure-activity relationships for ligand binding to GPR30 will be critical to the discovery of novel drugs that target this receptor for the purposes of revealing the underlying physiology of the receptor and developing therapeutic approaches for the improved treatment of estrogen-dependent cancers. PUBLIC HEALTH RELEVANCE: Estrogen plays an important role in normal and disease biology. We have characterized a novel membrane estrogen receptor that likely plays a role in estrogen biology. The goal of this work is to develop novel compounds that can specifically target this new receptor to either activate or inhibit its activity without affecting other estrogen receptors.
👤 Principal Investigator(s) (from NIH)
JEFFREY B ARTERBURN, TUDOR I OPREA, Eric R Prossnitz
🏛️ Recipient Organization (from NIH)
UNIVERSITY OF NEW MEXICO (ALBUQUERQUE, NM, UNITED STATES)
📅 Project Dates (from NIH)
Start: 2008-08-05T00:00:00
End: 2015-05-31T00:00:00
End: 2015-05-31T00:00:00
💰 Award Amount (from NIH)
$300,749
📊 Fiscal Year (from NIH)
2012
🏷️ Activity Code (from NIH)
R01
🔢 Project Number (from NIH)
5R01CA127731-05
🔗 Full Project Record (from NIH)
Added
2014-08-22
Last modified
2015-07-16
Source:
DimensionsWizard via Tudor Oprea
| ✓ Enriched from NIH
DimensionsWizard via Tudor Oprea
| ✓ Enriched from NIH
NEW MEXICO MOLECULAR LIBRARIES SCREENING CENTER ✓ NIH
2005-07 to 2008-09 | Grant
NIH Office of the Director (MD, MD, US)
Homepage URL: http://nmmlsc.health.unm.edu/
GRANT_NUMBER: 1U54 MH074425
Show more detailOrganization identifiers
NIH Office of the Director: MD, MD, US
📋 Enriched Project Title (from NIH)
New Mexico Molecular Libraries Screening Center(RMI)
📄 Project Abstract (from NIH)
DESCRIPTION (provided by applicant): We have developed innovative flow cytometric tools for discovery research that enable homogeneous analysis of ligand binding and protein-protein interaction, HT sample handling, high content analysis, and real-time measurements of cell response. We have already achieved delivery rates of ?l sized samples from multiwell plates at rates up to 100 samples/min end point assays and multiplex rates up to 1000/min. We have completed screens on several small molecule libraries, discovering novel small molecules that bind to a GPCR peptide receptor. Our experience indicates that virtually any molecular assembly or cell response can be displayed in a format compatible with flow cytometry. Moreover, by creating a suspension array of particles, assays and responses can be highly multiplexed or performed on complex cell populations without loss of throughput. Our novel sampling approach (HyperCyt(r)) makes flow cytometry an attractive platform for drug discovery, proteomics, and real-time analysis of molecular interactions. Flow cytometry is particularly convenient for alternately assessing both cellular and molecular activities of small molecules. To our knowledge, there is no single competing technology that offers the versatility of flow cytometry for Molecular Library Initiative screening or that has the potential of being available to such a large number of laboratories that house flow cytometers (20,000 world-wide). Our team brings together expertise that spans biomedical, biophysical, chemical, computational, instrumentation and engineering disciplines. The team represents an established group already working together through 1R24EB00264, a BRP previously funded to develop high throughput flow cytometry. The BRP is currently applied to our own targets in GPCR signaling pathways. Our screening center will be composed of three scientific teams (Core 1, Assay Optimization; Core 2, Screening and Automation; Core 3, Cheminformatics and Chemistry) and an Integrating core lead by PI, Larry Sklar, who will oversee the Center. Core 1, led by Co-PI Eric Prossnitz, will optimize NIH target assays for high throughput flow cytometry. Core 2, led by Co-PIs Bruce Edwards and
Herbert Tanner will perform HT screens and automate the flow cytometry platform. Core 3, led by Co-PIs Tudor Oprea and Jeffrey Arterburn will integrate cheminformatics and synthetic chemistry teams to increase the overall efficiency of the discovery process.
👤 Principal Investigator(s) (from NIH)
LARRY A. SKLAR
🏛️ Recipient Organization (from NIH)
UNIVERSITY OF NEW MEXICO (ALBUQUERQUE, NM, UNITED STATES)
📅 Project Dates (from NIH)
Start: 2005-07-01T00:00:00
End: 2008-06-30T00:00:00
End: 2008-06-30T00:00:00
💰 Award Amount (from NIH)
$1,997,161
📊 Fiscal Year (from NIH)
2005
🏷️ Activity Code (from NIH)
U54
🔢 Project Number (from NIH)
1U54MH074425-01
🔗 Full Project Record (from NIH)
Added
2014-08-22
Last modified
2015-07-16
Source:
Tudor Oprea
| ✓ Enriched from NIH
Tudor Oprea
| ✓ Enriched from NIH
Acquisition of a High Performance Shared-Memory Computer for Computational Science and Engineering at the University of New Mexico
2004-09-01 to 2007-08-31 | Grant
National Science Foundation (n/a, US)
GRANT_NUMBER: 0420513
Show more detailOrganization identifiers
National Science Foundation: n/a, US
Added
2014-08-22
Last modified
2015-07-16
Source:
DimensionsWizard via Tudor Oprea
DimensionsWizard via Tudor Oprea
Education and qualifications (5)
Los Alamos National Laboratory: Los Alamos, NM, US
1994-07-11 to 1996-04-01 |
Postdoctoral Fellow (Theoretical Biology Division, T-10)
Education
Show more detail
Organization identifiers
RINGGOLD:
5112
Los Alamos National Laboratory : Los Alamos, NM, US
Department
Theoretical Biology Division, T-10
Added
2016-11-04
Last modified
2016-11-04
Source:
Tudor Oprea
Washington University in Saint Louis School of Medicine: Saint Louis, MO, US
1992-09-01 to 1994-06-30 |
Postdoctoral Research Associate (Center for Molecular Design)
Education
Show more detail
Organization identifiers
RINGGOLD:
12275
Washington University in Saint Louis School of Medicine : Saint Louis, MO, US
Department
Center for Molecular Design
Added
2016-11-04
Last modified
2016-11-04
Source:
Tudor Oprea
Universitatea de Medicina si Farmacie Victor Babes din Timisoara: Timisoara, RO
Organization identifiers
RINGGOLD:
162271
Universitatea de Medicina si Farmacie Victor Babes din Timisoara : Timisoara, RO
Department
Physiology
Added
2016-11-04
Last modified
2016-11-04
Source:
Tudor Oprea
Universitatea de Medicina si Farmacie Victor Babes din Timisoara: Timisoara, RO
Organization identifiers
RINGGOLD:
162271
Universitatea de Medicina si Farmacie Victor Babes din Timisoara : Timisoara, RO
Added
2016-11-04
Last modified
2016-11-04
Source:
Tudor Oprea
Colegiul National Banatean: Timisoara, RO
Organization identifiers
RINGGOLD:
276775
Colegiul National Banatean : Timisoara, RO
Added
2016-11-04
Last modified
2019-10-07
Source:
Tudor Oprea
Artificial intelligence, drug repurposing and peer review
Nature Biotechnology
2020 | Journal article
Contributors:
Levin, J.M.; Oprea, T.I.; Davidovich, S.; Clozel, T.; Overington, J.P. (and 4 more)
Show more detail
Contributors
Levin, J.M.
(Author)
Oprea, T.I.
(Author)
Davidovich, S.
(Author)
Clozel, T.
(Author)
Overington, J.P.
(Author)
Vanhaelen, Q.
(Author)
Cantor, C.R.
(Author)
Bischof, E.
(Author)
Zhavoronkov, A.
(Author)
External identifiers
DOI:
10.1038/s41587-020-0686-x
EID:
2-s2.0-85090937869
ISBN:
15461696 10870156
Added
2020-11-20
Last modified
2022-05-31
Source:
Scopus - Elsevier
Scopus - Elsevier
Diabetes mellitus risk for 102 drugs and drug combinations used in patients with bipolar disorder
Psychoneuroendocrinology
2020 | Journal article
Contributors:
Nestsiarovich, A.; Kerner, B.; Mazurie, A.J.; Cannon, D.C.; Hurwitz, N.G. (and 7 more)
Show more detail
Contributors
Nestsiarovich, A.
(Author)
Kerner, B.
(Author)
Mazurie, A.J.
(Author)
Cannon, D.C.
(Author)
Hurwitz, N.G.
(Author)
Zhu, Y.
(Author)
Nelson, S.J.
(Author)
Oprea, T.I.
(Author)
Crisanti, A.S.
(Author)
Tohen, M.
(Author)
Perkins, D.J.
(Author)
Lambert, C.G.
(Author)
External identifiers
DOI:
10.1016/j.psyneuen.2019.104511
EID:
2-s2.0-85075450265
ISBN:
18733360 03064530
Added
2020-11-20
Last modified
2022-05-31
Source:
Scopus - Elsevier
Scopus - Elsevier
Erratum: QSAR without borders (Chemical Society Reviews (2020) DOI: 10.1039/d0cs00098a)
Chemical Society Reviews
2020 | Journal article
DOI:
10.1039/d0cs90041a
Contributors:
Muratov, E.N.; Bajorath, J.; Sheridan, R.P.; Tetko, I.V.; Filimonov, D. (and 14 more)
Show more detail
Contributors
Muratov, E.N.
(Author)
Bajorath, J.
(Author)
Sheridan, R.P.
(Author)
Tetko, I.V.
(Author)
Filimonov, D.
(Author)
Poroikov, V.
(Author)
Oprea, T.I.
(Author)
Baskin, I.I.
(Author)
Varnek, A.
(Author)
Roitberg, A.
(Author)
Isayev, O.
(Author)
Curtarolo, S.
(Author)
Fourches, D.
(Author)
Cohen, Y.
(Author)
Aspuru-Guzik, A.
(Author)
Winkler, D.A.
(Author)
Agrafiotis, D.
(Author)
Cherkasov, A.
(Author)
Tropsha, A.
(Author)
External identifiers
DOI:
10.1039/d0cs90041a
EID:
2-s2.0-85086282786
ISBN:
14604744 03060012
Added
2020-11-20
Last modified
2022-05-31
Source:
Scopus - Elsevier
Scopus - Elsevier
How many rare diseases are there?
Nature Reviews Drug Discovery
2020 | Journal article
Contributors:
Haendel, M.; Vasilevsky, N.; Unni, D.; Bologa, C.; Harris, N. (and 14 more)
Show more detail
Contributors
Haendel, M.
(Author)
Vasilevsky, N.
(Author)
Unni, D.
(Author)
Bologa, C.
(Author)
Harris, N.
(Author)
Rehm, H.
(Author)
Hamosh, A.
(Author)
Baynam, G.
(Author)
Groza, T.
(Author)
McMurry, J.
(Author)
Dawkins, H.
(Author)
Rath, A.
(Author)
Thaxon, C.
(Author)
Bocci, G.
(Author)
Joachimiak, M.P.
(Author)
Köhler, S.
(Author)
Robinson, P.N.
(Author)
Mungall, C.
(Author)
Oprea, T.I.
(Author)
External identifiers
DOI:
10.1038/d41573-019-00180-y
EID:
2-s2.0-85076836740
ISBN:
14741784 14741776
Added
2020-11-20
Last modified
2022-05-31
Source:
Scopus - Elsevier
Scopus - Elsevier
How to Illuminate the Druggable Genome Using Pharos
Current Protocols in Bioinformatics
2020 | Journal article
DOI:
10.1002/cpbi.92
Contributors:
Sheils, T.; Mathias, S.L.; Siramshetty, V.B.; Bocci, G.; Bologa, C.G. (and 5 more)
Show more detail
Contributors
Sheils, T.
(Author)
Mathias, S.L.
(Author)
Siramshetty, V.B.
(Author)
Bocci, G.
(Author)
Bologa, C.G.
(Author)
Yang, J.J.
(Author)
Waller, A.
(Author)
Southall, N.
(Author)
Nguyen, D.-T.
(Author)
Oprea, T.I.
(Author)
External identifiers
DOI:
10.1002/cpbi.92
EID:
2-s2.0-85081287955
ISBN:
1934340X 19343396
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2020-11-20
Last modified
2022-05-31
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Scopus - Elsevier
Scopus - Elsevier
Publisher Correction: Therapies for rare diseases: therapeutic modalities, progress and challenges ahead (Nature Reviews Drug Discovery, (2020), 19, 2, (93-111), 10.1038/s41573-019-0049-9)
Nature Reviews Drug Discovery
2020 | Journal article
Contributors:
Tambuyzer, E.; Vandendriessche, B.; Austin, C.P.; Brooks, P.J.; Larsson, K. (and 7 more)
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Contributors
Tambuyzer, E.
(Author)
Vandendriessche, B.
(Author)
Austin, C.P.
(Author)
Brooks, P.J.
(Author)
Larsson, K.
(Author)
Needleman, K.I.M.
(Author)
Valentine, J.
(Author)
Davies, K.
(Author)
Groft, S.C.
(Author)
Preti, R.
(Author)
Oprea, T.I.
(Author)
Prunotto, M.
(Author)
External identifiers
DOI:
10.1038/s41573-019-0059-7
EID:
2-s2.0-85077595831
ISBN:
14741784 14741776
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2020-11-20
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2022-05-31
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Scopus - Elsevier
Scopus - Elsevier
QSAR without borders
Chemical Society Reviews
2020 | Journal article
DOI:
10.1039/d0cs00098a
Contributors:
Muratov, E.N.; Bajorath, J.; Sheridan, R.P.; Tetko, I.V.; Filimonov, D. (and 14 more)
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Contributors
Muratov, E.N.
(Author)
Bajorath, J.
(Author)
Sheridan, R.P.
(Author)
Tetko, I.V.
(Author)
Filimonov, D.
(Author)
Poroikov, V.
(Author)
Oprea, T.I.
(Author)
Baskin, I.I.
(Author)
Varnek, A.
(Author)
Roitberg, A.
(Author)
Isayev, O.
(Author)
Curtalolo, S.
(Author)
Fourches, D.
(Author)
Cohen, Y.
(Author)
Aspuru-Guzik, A.
(Author)
Winkler, D.A.
(Author)
Agrafiotis, D.
(Author)
Cherkasov, A.
(Author)
Tropsha, A.
(Author)
External identifiers
DOI:
10.1039/d0cs00098a
EID:
2-s2.0-85086284414
ISBN:
14604744 03060012
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2020-11-20
Last modified
2022-05-31
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Scopus - Elsevier
Scopus - Elsevier
SmartGraph: A network pharmacology investigation platform
Journal of Cheminformatics
2020 | Journal article
Contributors:
Zahoránszky-Kohalmi, G.; Sheils, T.; Oprea, T.I.
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Contributors
Zahoránszky-Kohalmi, G.
(Author)
Sheils, T.
(Author)
Oprea, T.I.
(Author)
External identifiers
DOI:
10.1186/s13321-020-0409-9
EID:
2-s2.0-85078677315
ISBN:
17582946
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2020-11-20
Last modified
2022-05-31
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Scopus - Elsevier
Scopus - Elsevier
Therapies for rare diseases: therapeutic modalities, progress and challenges ahead
Nature Reviews Drug Discovery
2020 | Journal article
Contributors:
Tambuyzer, E.; Vandendriessche, B.; Austin, C.P.; Brooks, P.J.; Larsson, K. (and 7 more)
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Contributors
Tambuyzer, E.
(Author)
Vandendriessche, B.
(Author)
Austin, C.P.
(Author)
Brooks, P.J.
(Author)
Larsson, K.
(Author)
Miller Needleman, K.I.
(Author)
Valentine, J.
(Author)
Davies, K.
(Author)
Groft, S.C.
(Author)
Preti, R.
(Author)
Oprea, T.I.
(Author)
Prunotto, M.
(Author)
External identifiers
DOI:
10.1038/s41573-019-0049-9
EID:
2-s2.0-85076831788
ISBN:
14741784 14741776
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2020-11-20
Last modified
2022-05-31
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Scopus - Elsevier
Scopus - Elsevier
Will Artificial Intelligence for Drug Discovery Impact Clinical Pharmacology?
Clinical Pharmacology and Therapeutics
2020 | Journal article
DOI:
10.1002/cpt.1795
Contributors:
Zhavoronkov, A.; Vanhaelen, Q.; Oprea, T.I.
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Contributors
Zhavoronkov, A.
(Author)
Vanhaelen, Q.
(Author)
Oprea, T.I.
(Author)
External identifiers
DOI:
10.1002/cpt.1795
EID:
2-s2.0-85081016978
ISBN:
15326535 00099236
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2020-11-20
Last modified
2022-05-31
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Scopus - Elsevier
Scopus - Elsevier
A Selective Ligand for Estrogen Receptor Proteins Discriminates Rapid and Genomic Signaling
Cell Chemical Biology
2019 | Journal article
Contributors:
Revankar, C.M.; Bologa, C.G.; Pepermans, R.A.; Sharma, G.; Petrie, W.K. (and 10 more)
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Contributors
Revankar, C.M.
(Author)
Bologa, C.G.
(Author)
Pepermans, R.A.
(Author)
Sharma, G.
(Author)
Petrie, W.K.
(Author)
Alcon, S.N.
(Author)
Field, A.S.
(Author)
Ramesh, C.
(Author)
Parker, M.A.
(Author)
Savchuk, N.P.
(Author)
Sklar, L.A.
(Author)
Hathaway, H.J.
(Author)
Arterburn, J.B.
(Author)
Oprea, T.I.
(Author)
Prossnitz, E.R.
(Author)
External identifiers
DOI:
10.1016/j.chembiol.2019.10.009
EID:
2-s2.0-85075470325
ISBN:
24519448 24519456
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2020-11-20
Last modified
2022-05-31
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Scopus - Elsevier
Scopus - Elsevier
Can BDDCS illuminate targets in drug design?
Drug Discovery Today
2019 | Journal article
Contributors:
Bocci, G.; Benet, L.Z.; Oprea, T.I.
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Contributors
Bocci, G.
(Author)
Benet, L.Z.
(Author)
Oprea, T.I.
(Author)
External identifiers
DOI:
10.1016/j.drudis.2019.09.021
EID:
2-s2.0-85073726166
ISBN:
18785832 13596446
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2020-11-20
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2022-05-31
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Scopus - Elsevier
Scopus - Elsevier
Comparison of 71 bipolar disorder pharmacotherapies for kidney disorder risk: The potential hazards of polypharmacy
Journal of Affective Disorders
2019 | Journal article
Contributors:
Nestsiarovich, A.; Kerner, B.; Mazurie, A.J.; Cannon, D.C.; Hurwitz, N.G. (and 8 more)
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Contributors
Nestsiarovich, A.
(Author)
Kerner, B.
(Author)
Mazurie, A.J.
(Author)
Cannon, D.C.
(Author)
Hurwitz, N.G.
(Author)
Zhu, Y.
(Author)
Nelson, S.J.
(Author)
Oprea, T.I.
(Author)
Unruh, M.L.
(Author)
Crisanti, A.S.
(Author)
Tohen, M.
(Author)
Perkins, D.J.
(Author)
Lambert, C.G.
(Author)
External identifiers
DOI:
10.1016/j.jad.2019.04.009
EID:
2-s2.0-85064199588
ISBN:
15732517 01650327
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2020-11-20
Last modified
2022-05-31
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Scopus - Elsevier
Scopus - Elsevier
DrugCentral 2018: An update
Nucleic Acids Research
2019 | Journal article
DOI:
10.1093/nar/gky963
Contributors:
Ursu, O.; Holmes, J.; Bologa, C.G.; Yang, J.J.; Mathias, S.L. (and 4 more)
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Contributors
Ursu, O.
(Author)
Holmes, J.
(Author)
Bologa, C.G.
(Author)
Yang, J.J.
(Author)
Mathias, S.L.
(Author)
Stathias, V.
(Author)
Nguyen, D.-T.
(Author)
Schürer, S.
(Author)
Oprea, T.
(Author)
External identifiers
DOI:
10.1093/nar/gky963
EID:
2-s2.0-85059796300
ISBN:
13624962 03051048
Added
2020-11-20
Last modified
2022-05-31
Source:
Scopus - Elsevier
Scopus - Elsevier
Exploring the dark genome: implications for precision medicine
Contributors
Oprea, T.I.
(Author)
External identifiers
DOI:
10.1007/s00335-019-09809-0
EID:
2-s2.0-85068827466
ISBN:
14321777 09388990
Added
2020-11-20
Last modified
2022-05-31
Source:
Scopus - Elsevier
Scopus - Elsevier
How to prepare a compound collection prior to virtual screening
Methods in Molecular Biology
2019 | Book chapter
Contributors:
Bologa, C.G.; Ursu, O.; Oprea, T.I.
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Contributors
Bologa, C.G.
(Author)
Ursu, O.
(Author)
Oprea, T.I.
(Author)
External identifiers
DOI:
10.1007/978-1-4939-9089-4_7
EID:
2-s2.0-85062626724
ISBN:
10643745
Added
2020-11-20
Last modified
2022-05-31
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Scopus - Elsevier
Novel drug targets in 2018
Nature Reviews Drug Discovery
2019 | Journal article
Contributors:
Ursu, O.; Glick, M.; Oprea, T.
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Contributors
Ursu, O.
(Author)
Glick, M.
(Author)
Oprea, T.
(Author)
External identifiers
DOI:
10.1038/d41573-019-00052-5
EID:
2-s2.0-85068843956
ISBN:
14741784 14741776
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2020-11-20
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2022-05-31
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Scopus - Elsevier
Scopus - Elsevier
Preface
Contributors
Larson, R.S.
(Author)
Oprea, T.I.
(Author)
External identifiers
EID:
2-s2.0-85063289487
ISBN:
10643745
Added
2020-11-20
Last modified
2022-05-31
Source:
Scopus - Elsevier
Scopus - Elsevier
The human endogenous metabolome as a pharmacology baseline for drug discovery
Drug Discovery Today
2019 | Journal article
Contributors:
Bofill, A.; Jalencas, X.; Oprea, T.I.; Mestres, J.
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Contributors
Bofill, A.
(Author)
Jalencas, X.
(Author)
Oprea, T.I.
(Author)
Mestres, J.
(Author)
External identifiers
DOI:
10.1016/j.drudis.2019.06.007
EID:
2-s2.0-85068094443
ISBN:
18785832 13596446
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2020-11-20
Last modified
2022-05-31
Source:
Scopus - Elsevier
Scopus - Elsevier
Activation of Rho Family GTPases by Small Molecules
ACS Chemical Biology
2018 | Journal article
Contributors:
Palsuledesai, C.C.; Surviladze, Z.; Waller, A.; Miscioscia, T.F.; Guo, Y. (and 19 more)
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Contributors
Palsuledesai, C.C.
(Author)
Surviladze, Z.
(Author)
Waller, A.
(Author)
Miscioscia, T.F.
(Author)
Guo, Y.
(Author)
Wu, Y.
(Author)
Strouse, J.
(Author)
Romero, E.
(Author)
Salas, V.M.
(Author)
Curpan, R.
(Author)
Young, S.
(Author)
Carter, M.
(Author)
Foutz, T.
(Author)
Galochkina, Z.
(Author)
Ames, H.
(Author)
Haynes, M.K.
(Author)
Edwards, B.S.
(Author)
Nicolotti, O.
(Author)
Luo, L.
(Author)
Ursu, O.
(Author)
Bologa, C.G.
(Author)
Oprea, T.I.
(Author)
Wandinger-Ness, A.
(Author)
Sklar, L.A.
(Author)
External identifiers
DOI:
10.1021/acschembio.8b00038
EID:
2-s2.0-85046965358
ISBN:
15548937 15548929
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2020-11-20
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2022-05-31
Source:
Scopus - Elsevier
Scopus - Elsevier
Chronic obstructive pulmonary disease phenotypes using cluster analysis of electronic medical records
Health Informatics Journal
2018 | Journal article
Contributors:
Vazquez Guillamet, R.; Ursu, O.; Iwamoto, G.; Moseley, P.L.; Oprea, T.
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Contributors
Vazquez Guillamet, R.
(Author)
Ursu, O.
(Author)
Iwamoto, G.
(Author)
Moseley, P.L.
(Author)
Oprea, T.
(Author)
External identifiers
DOI:
10.1177/1460458216675661
EID:
2-s2.0-85055649260
ISBN:
17412811 14604582
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2020-11-20
Last modified
2022-05-31
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Scopus - Elsevier
Scopus - Elsevier
Erratum: Unexplored therapeutic opportunities in the human genome (Nature reviews. Drug discovery (2018) 17 5 (317-332))
Nature reviews. Drug discovery
2018 | Journal article
DOI:
10.1038/nrd.2018.52
Contributors:
Oprea, T.I.; Bologa, C.G.; Brunak, S.; Campbell, A.; Gan, G.N. (and 36 more)
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Contributors
Oprea, T.I.
(Author)
Bologa, C.G.
(Author)
Brunak, S.
(Author)
Campbell, A.
(Author)
Gan, G.N.
(Author)
Gaulton, A.
(Author)
Gomez, S.M.
(Author)
Guha, R.
(Author)
Hersey, A.
(Author)
Holmes, J.
(Author)
Jadhav, A.
(Author)
Jensen, L.J.
(Author)
Johnson, G.L.
(Author)
Karlson, A.
(Author)
Leach, A.R.
(Author)
Ma'ayan, A.
(Author)
Malovannaya, A.
(Author)
Mani, S.
(Author)
Mathias, S.L.
(Author)
McManus, M.T.
(Author)
Meehan, T.F.
(Author)
von Mering, C.
(Author)
Muthas, D.
(Author)
Nguyen, D.-T.
(Author)
Overington, J.P.
(Author)
Papadatos, G.
(Author)
Qin, J.
(Author)
Reich, C.
(Author)
Roth, B.L.
(Author)
Schürer, S.C.
(Author)
Simeonov, A.
(Author)
Sklar, L.A.
(Author)
Southall, N.
(Author)
Tomita, S.
(Author)
Tudose, I.
(Author)
Ursu, O.
(Author)
Vidovic, D.
(Author)
Waller, A.
(Author)
Westergaard, D.
(Author)
Yang, J.J.
(Author)
Zahoránszky-Köhalmi, G.
(Author)
External identifiers
DOI:
10.1038/nrd.2018.52
EID:
2-s2.0-85056039783
ISBN:
14741784
Added
2020-11-20
Last modified
2022-05-31
Source:
Scopus - Elsevier
Scopus - Elsevier
Far away from the lamppost
PLoS Biology
2018 | Journal article
Contributors:
Oprea, T.I.; Jan, L.; Johnson, G.L.; Roth, B.L.; Ma’ayan, A. (and 4 more)
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Contributors
Oprea, T.I.
(Author)
Jan, L.
(Author)
Johnson, G.L.
(Author)
Roth, B.L.
(Author)
Ma’ayan, A.
(Author)
Schürer, S.
(Author)
Shoichet, B.K.
(Author)
Sklar, L.A.
(Author)
McManus, M.T.
(Author)
External identifiers
DOI:
10.1371/journal.pbio.3000067
EID:
2-s2.0-85058604036
ISBN:
15457885 15449173
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2020-11-20
Last modified
2022-05-31
Source:
Scopus - Elsevier
Scopus - Elsevier
High-throughput flow cytometry screening of multidrug efflux systems
Methods in Molecular Biology
2018 | Book chapter
Contributors:
Haynes, M.K.; Garcia, M.; Peters, R.; Waller, A.; Tedesco, P. (and 9 more)
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Contributors
Haynes, M.K.
(Author)
Garcia, M.
(Author)
Peters, R.
(Author)
Waller, A.
(Author)
Tedesco, P.
(Author)
Ursu, O.
(Author)
Bologa, C.G.
(Author)
Santos, R.G.
(Author)
Pinilla, C.
(Author)
Wu, T.H.
(Author)
Lovchik, J.A.
(Author)
Oprea, T.I.
(Author)
Sklar, L.A.
(Author)
Tegos, G.P.
(Author)
External identifiers
DOI:
10.1007/978-1-4939-7454-2_16
EID:
2-s2.0-85038018846
ISBN:
10643745
Added
2020-11-20
Last modified
2022-05-31
Source:
Scopus - Elsevier
Scopus - Elsevier
In silico toxicology protocols
Regulatory Toxicology and Pharmacology
2018 | Journal article
Contributors:
Myatt, G.J.; Ahlberg, E.; Akahori, Y.; Allen, D.; Amberg, A. (and 79 more)
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Contributors
Myatt, G.J.
(Author)
Ahlberg, E.
(Author)
Akahori, Y.
(Author)
Allen, D.
(Author)
Amberg, A.
(Author)
Anger, L.T.
(Author)
Aptula, A.
(Author)
Auerbach, S.
(Author)
Beilke, L.
(Author)
Bellion, P.
(Author)
Benigni, R.
(Author)
Bercu, J.
(Author)
Booth, E.D.
(Author)
Bower, D.
(Author)
Brigo, A.
(Author)
Burden, N.
(Author)
Cammerer, Z.
(Author)
Cronin, M.T.D.
(Author)
Cross, K.P.
(Author)
Custer, L.
(Author)
Dettwiler, M.
(Author)
Dobo, K.
(Author)
Ford, K.A.
(Author)
Fortin, M.C.
(Author)
Gad-McDonald, S.E.
(Author)
Gellatly, N.
(Author)
Gervais, V.
(Author)
Glover, K.P.
(Author)
Glowienke, S.
(Author)
Van Gompel, J.
(Author)
Gutsell, S.
(Author)
Hardy, B.
(Author)
Harvey, J.S.
(Author)
Hillegass, J.
(Author)
Honma, M.
(Author)
Hsieh, J.-H.
(Author)
Hsu, C.-W.
(Author)
Hughes, K.
(Author)
Johnson, C.
(Author)
Jolly, R.
(Author)
Jones, D.
(Author)
Kemper, R.
(Author)
Kenyon, M.O.
(Author)
Kim, M.T.
(Author)
Kruhlak, N.L.
(Author)
Kulkarni, S.A.
(Author)
Kümmerer, K.
(Author)
Leavitt, P.
(Author)
Majer, B.
(Author)
Masten, S.
(Author)
Miller, S.
(Author)
Moser, J.
(Author)
Mumtaz, M.
(Author)
Muster, W.
(Author)
Neilson, L.
(Author)
Oprea, T.I.
(Author)
Patlewicz, G.
(Author)
Paulino, A.
(Author)
Lo Piparo, E.
(Author)
Powley, M.
(Author)
Quigley, D.P.
(Author)
Reddy, M.V.
(Author)
Richarz, A.-N.
(Author)
Ruiz, P.
(Author)
Schilter, B.
(Author)
Serafimova, R.
(Author)
Simpson, W.
(Author)
Stavitskaya, L.
(Author)
Stidl, R.
(Author)
Suarez-Rodriguez, D.
(Author)
Szabo, D.T.
(Author)
Teasdale, A.
(Author)
Trejo-Martin, A.
(Author)
Valentin, J.-P.
(Author)
Vuorinen, A.
(Author)
Wall, B.A.
(Author)
Watts, P.
(Author)
White, A.T.
(Author)
Wichard, J.
(Author)
Witt, K.L.
(Author)
Woolley, A.
(Author)
Woolley, D.
(Author)
Zwickl, C.
(Author)
Hasselgren, C.
(Author)
External identifiers
DOI:
10.1016/j.yrtph.2018.04.014
EID:
2-s2.0-85046116125
ISBN:
10960295 02732300
Added
2020-11-20
Last modified
2022-05-31
Source:
Scopus - Elsevier
Scopus - Elsevier
Leaving us with fond memories, smiles, SMILES and, alas, tears: a tribute to David Weininger, 1952–2016
Journal of Computer-Aided Molecular Design
2018 | Journal article
Contributors:
Gasteiger, J.; Martin, Y.; Nicholls, A.; Oprea, T.I.; Stouch, T.
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Contributors
Gasteiger, J.
(Author)
Martin, Y.
(Author)
Nicholls, A.
(Author)
Oprea, T.I.
(Author)
Stouch, T.
(Author)
External identifiers
DOI:
10.1007/s10822-018-0104-3
EID:
2-s2.0-85041906741
ISBN:
15734951 0920654X
Added
2020-11-20
Last modified
2022-05-31
Source:
Scopus - Elsevier
Scopus - Elsevier
Proteomic analysis defines kinase taxonomies specific for subtypes of breast cancer
Oncotarget
2018 | Journal article
Contributors:
Collins, K.A.L.; Stuhlmiller, T.J.; Zawistowski, J.S.; East, M.P.; Pham, T.T. (and 10 more)
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Contributors
Collins, K.A.L.
(Author)
Stuhlmiller, T.J.
(Author)
Zawistowski, J.S.
(Author)
East, M.P.
(Author)
Pham, T.T.
(Author)
Hall, C.R.
(Author)
Goulet, D.R.
(Author)
Bevill, S.M.
(Author)
Angus, S.P.
(Author)
Velarde, S.H.
(Author)
Sciaky, N.
(Author)
Oprea, T.I.
(Author)
Graves, L.M.
(Author)
Johnson, G.L.
(Author)
Gomez, S.M.
(Author)
External identifiers
DOI:
10.18632/oncotarget.24337
EID:
2-s2.0-85044228065
ISBN:
19492553
Added
2020-11-20
Last modified
2022-05-31
Source:
Scopus - Elsevier
Scopus - Elsevier
Unexplored therapeutic opportunities in the human genome
Nature Reviews Drug Discovery
2018 | Journal article
DOI:
10.1038/nrd.2018.14
Contributors:
Oprea, T.I.; Bologa, C.G.; Brunak, Sø.; Campbell, A.; Gan, G.N. (and 36 more)
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Contributors
Oprea, T.I.
(Author)
Bologa, C.G.
(Author)
Brunak, Sø.
(Author)
Campbell, A.
(Author)
Gan, G.N.
(Author)
Gaulton, A.
(Author)
Gomez, S.M.
(Author)
Guha, R.
(Author)
Hersey, A.
(Author)
Holmes, J.
(Author)
Jadhav, A.
(Author)
Jensen, L.J.
(Author)
Johnson, G.L.
(Author)
Karlson, A.
(Author)
Leach, A.R.
(Author)
Ma'ayan, A.
(Author)
Malovannaya, A.
(Author)
Mani, S.
(Author)
Mathias, S.L.
(Author)
McManus, M.T.
(Author)
Meehan, T.F.
(Author)
Von Mering, C.
(Author)
Muthas, D.
(Author)
Nguyen, D.-T.
(Author)
Overington, J.P.
(Author)
Papadatos, G.
(Author)
Qin, J.
(Author)
Reich, C.
(Author)
Roth, B.L.
(Author)
Schürer, S.C.
(Author)
Simeonov, A.
(Author)
Sklar, L.A.
(Author)
Southall, N.
(Author)
Tomita, S.
(Author)
Tudose, I.
(Author)
Ursu, O.
(Author)
Vidović, D.
(Author)
Waller, A.
(Author)
Westergaard, D.
(Author)
Yang, J.J.
(Author)
Zahoránszky-Köhalmi, G.
(Author)
External identifiers
DOI:
10.1038/nrd.2018.14
EID:
2-s2.0-85045980099
ISBN:
14741784 14741776
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2020-11-20
Last modified
2022-05-31
Source:
Scopus - Elsevier
Scopus - Elsevier
Drug target ontology to classify and integrate drug discovery data
Journal of Biomedical Semantics
2017 | Journal article
Contributors:
Lin, Y.; Mehta, S.; Küçük-McGinty, H.; Turner, J.P.; Vidovic, D. (and 17 more)
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Contributors
Lin, Y.
(Author)
Mehta, S.
(Author)
Küçük-McGinty, H.
(Author)
Turner, J.P.
(Author)
Vidovic, D.
(Author)
Forlin, M.
(Author)
Koleti, A.
(Author)
Nguyen, D.-T.
(Author)
Jensen, L.J.
(Author)
Guha, R.
(Author)
Mathias, S.L.
(Author)
Ursu, O.
(Author)
Stathias, V.
(Author)
Duan, J.
(Author)
Nabizadeh, N.
(Author)
Chung, C.
(Author)
Mader, C.
(Author)
Visser, U.
(Author)
Yang, J.J.
(Author)
Bologa, C.G.
(Author)
Oprea, T.I.
(Author)
Schürer, S.C.
(Author)
External identifiers
DOI:
10.1186/s13326-017-0161-x
EID:
2-s2.0-85034600949
ISBN:
20411480
Added
2020-11-20
Last modified
2022-05-31
Source:
Scopus - Elsevier
Scopus - Elsevier
DrugCentral: Online drug compendium
Nucleic Acids Research
2017 | Journal article
DOI:
10.1093/nar/gkw993
Contributors:
Ursu, O.; Holmes, J.; Knockel, J.; Bologa, C.G.; Yang, J.J. (and 3 more)
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Contributors
Ursu, O.
(Author)
Holmes, J.
(Author)
Knockel, J.
(Author)
Bologa, C.G.
(Author)
Yang, J.J.
(Author)
Mathias, S.L.
(Author)
Nelson, S.J.
(Author)
Oprea, T.I.
(Author)
External identifiers
DOI:
10.1093/nar/gkw993
EID:
2-s2.0-85016084712
ISBN:
13624962 03051048
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2020-11-20
Last modified
2022-05-31
Source:
Scopus - Elsevier
Scopus - Elsevier
Formalizing drug indications on the road to therapeutic intent
Journal of the American Medical Informatics Association
2017 | Journal article
DOI:
10.1093/jamia/ocx064
Contributors:
Nelson, S.J.; Oprea, T.I.; Ursu, O.; Bologa, C.G.; Zaveri, A. (and 6 more)
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Contributors
Nelson, S.J.
(Author)
Oprea, T.I.
(Author)
Ursu, O.
(Author)
Bologa, C.G.
(Author)
Zaveri, A.
(Author)
Holmes, J.
(Author)
Yang, J.J.
(Author)
Mathias, S.L.
(Author)
Mani, S.
(Author)
Tuttle, M.S.
(Author)
Dumontier, M.
(Author)
External identifiers
DOI:
10.1093/jamia/ocx064
EID:
2-s2.0-85032913475
ISBN:
1527974X 10675027
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2020-11-20
Last modified
2022-05-31
Source:
Scopus - Elsevier
Scopus - Elsevier
Learning reference-enriched approach towards large scale active ontology alignment and integration
Proceedings - 2017 IEEE International Conference on Bioinformatics and Biomedicine, BIBM 2017
2017 | Conference paper
Contributors:
Cheng, Q.; Ursu, O.; Oprea, T.I.; Schurer, S.
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Contributors
Cheng, Q.
(Author)
Ursu, O.
(Author)
Oprea, T.I.
(Author)
Schurer, S.
(Author)
External identifiers
DOI:
10.1109/BIBM.2017.8217908
EID:
2-s2.0-85045995719
Added
2020-11-20
Last modified
2022-05-31
Source:
Scopus - Elsevier
Scopus - Elsevier
Pharos: Collating protein information to shed light on the druggable genome
Nucleic Acids Research
2017 | Journal article
DOI:
10.1093/nar/gkw1072
Contributors:
Nguyen, D.-T.; Mathias, S.; Bologa, C.; Brunak, S.; Fernandez, N. (and 25 more)
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Contributors
Nguyen, D.-T.
(Author)
Mathias, S.
(Author)
Bologa, C.
(Author)
Brunak, S.
(Author)
Fernandez, N.
(Author)
Gaulton, A.
(Author)
Hersey, A.
(Author)
Holmes, J.
(Author)
Jensen, L.J.
(Author)
Karlsson, A.
(Author)
Liu, G.
(Author)
Ma'ayan, A.
(Author)
Mandava, G.
(Author)
Mani, S.
(Author)
Mehta, S.
(Author)
Overington, J.
(Author)
Patel, J.
(Author)
Rouillard, A.D.
(Author)
Schürer, S.
(Author)
Sheils, T.
(Author)
Simeonov, A.
(Author)
Sklar, L.A.
(Author)
Southall, N.
(Author)
Ursu, O.
(Author)
Vidovic, D.
(Author)
Waller, A.
(Author)
Yang, J.
(Author)
Jadhav, A.
(Author)
Oprea, T.I.
(Author)
Guha, R.
(Author)
External identifiers
DOI:
10.1093/nar/gkw1072
EID:
2-s2.0-85016029597
ISBN:
13624962 03051048
Added
2020-11-20
Last modified
2022-05-31
Source:
Scopus - Elsevier
Scopus - Elsevier
Predicting Target and Chemical Druggability
Comprehensive Medicinal Chemistry III
2017 | Book chapter
Contributors:
Oprea, T.I.; Hasselgren, C.
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Contributors
Oprea, T.I.
(Author)
Hasselgren, C.
(Author)
External identifiers
DOI:
10.1016/B978-0-12-409547-2.12342-X
EID:
2-s2.0-85046138447
Added
2020-11-20
Last modified
2022-05-31
Source:
Scopus - Elsevier
Scopus - Elsevier
Protein biomarker druggability profiling
Journal of Biomedical Informatics
2017 | Journal article
Contributors:
Mani, S.; Cannon, D.; Ohls, R.; Oprea, T.; Mathias, S. (and 3 more)
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Contributors
Mani, S.
(Author)
Cannon, D.
(Author)
Ohls, R.
(Author)
Oprea, T.
(Author)
Mathias, S.
(Author)
Ballard, K.
(Author)
Ursu, O.
(Author)
Bologa, C.
(Author)
External identifiers
DOI:
10.1016/j.jbi.2017.01.014
EID:
2-s2.0-85011883191
ISBN:
15320464
Added
2020-11-20
Last modified
2022-05-31
Source:
Scopus - Elsevier
Scopus - Elsevier
TIN-X: target importance and novelty explorer
Bioinformatics (Oxford, England)
2017 | Journal article
Contributors:
Cannon, D.C.; Yang, J.J.; Mathias, S.L.; Ursu, O.; Mani, S. (and 6 more)
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Contributors
Cannon, D.C.
(Author)
Yang, J.J.
(Author)
Mathias, S.L.
(Author)
Ursu, O.
(Author)
Mani, S.
(Author)
Waller, A.
(Author)
Schürer, S.C.
(Author)
Jensen, L.J.
(Author)
Sklar, L.A.
(Author)
Bologa, C.G.
(Author)
Oprea, T.I.
(Author)
External identifiers
DOI:
10.1093/bioinformatics/btx200
EID:
2-s2.0-85034587016
ISBN:
13674811
Added
2020-11-20
Last modified
2022-05-31
Source:
Scopus - Elsevier
Scopus - Elsevier
The ontology reference model for visual selectivity analysis in drug-target interactions
Proceedings - 2017 IEEE International Conference on Bioinformatics and Biomedicine, BIBM 2017
2017 | Conference paper
Contributors:
Cheng, Q.; Lopez, F.A.; Duran, C.; Camarillo, C.; Oprea, T.I. (and 1 more)
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Contributors
Cheng, Q.
(Author)
Lopez, F.A.
(Author)
Duran, C.
(Author)
Camarillo, C.
(Author)
Oprea, T.I.
(Author)
Schurer, S.
(Author)
External identifiers
DOI:
10.1109/BIBM.2017.8217982
EID:
2-s2.0-85046021227
Added
2020-11-20
Last modified
2022-05-31
Source:
Scopus - Elsevier
Scopus - Elsevier
DrugCentral: online drug compendium.
2016-10 | Journal article
Contributors:
Ursu O; Holmes J; Knockel J; Bologa CG; Yang JJ (and 3 more)
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Homepage URL
Contributors
Ursu O
(Author)
Holmes J
(Author)
Knockel J
(Author)
Bologa CG
(Author)
Yang JJ
(Author)
Mathias SL
(Author)
Nelson SJ
(Author)
Oprea TI
(Author)
External identifiers
PMID:
27789690
Added
2016-11-04
Last modified
2022-05-25
Source:
Europe PubMed Central
Europe PubMed Central
Estimation of Maximum Recommended Therapeutic Dose Using Predicted Promiscuity and Potency.
2016-10 | Journal article
DOI:
10.1111/cts.12422
Contributors:
Liu T; Oprea T; Ursu O; Hasselgren C; Altman RB
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Homepage URL
Contributors
Liu T
(Author)
Oprea T
(Author)
Ursu O
(Author)
Hasselgren C
(Author)
Altman RB
(Author)
External identifiers
PMID:
27736015
DOI:
10.1111/cts.12422
Added
2016-11-04
Last modified
2022-05-25
Source:
Europe PubMed Central
Europe PubMed Central
A pepducin designed to modulate P2Y2R function interacts with FPR2 in human neutrophils and transfers ATP to an NADPH-oxidase-activating ligand through a receptor cross-talk mechanism.
2016-06 | Journal article
Contributors:
Gabl M; Holdfeldt A; Winther M; Oprea T; Bylund J (and 2 more)
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Contributors
Gabl M
(Author)
Holdfeldt A
(Author)
Winther M
(Author)
Oprea T
(Author)
Bylund J
(Author)
Dahlgren C
(Author)
Forsman H
(Author)
External identifiers
PMID:
26996596
DOI:
10.1016/j.bbamcr.2016.03.014
Added
2016-11-04
Last modified
2022-05-25
Source:
Europe PubMed Central
Europe PubMed Central
BDDCS, the Rule of 5 and drugability.
Homepage URL
Contributors
Benet LZ
(Author)
Hosey CM
(Author)
Ursu O
(Author)
Oprea TI
(Author)
External identifiers
PMID:
27182629
DOI:
10.1016/j.addr.2016.05.007
Added
2016-11-04
Last modified
2022-05-25
Source:
Europe PubMed Central
Europe PubMed Central
Discovery of a specific inhibitor of human GLUT5 by virtual screening and in vitro transport evaluation.
2016-04 | Journal article
DOI:
10.1038/srep24240
Contributors:
George Thompson AM; Ursu O; Babkin P; Iancu CV; Whang A (and 2 more)
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Contributors
George Thompson AM
(Author)
Ursu O
(Author)
Babkin P
(Author)
Iancu CV
(Author)
Whang A
(Author)
Oprea TI
(Author)
Choe JY
(Author)
External identifiers
PMID:
27074918
PMC:
PMC4831007
DOI:
10.1038/srep24240
Added
2016-11-04
Last modified
2022-05-25
Source:
Europe PubMed Central
Europe PubMed Central
A comprehensive map of molecular drug targets
Nature Reviews Drug Discovery
2016 | Journal article
DOI:
10.1038/nrd.2016.230
Contributors:
Santos, R.; Ursu, O.; Gaulton, A.; Bento, A.P.; Donadi, R.S. (and 6 more)
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Contributors
Santos, R.
(Author)
Ursu, O.
(Author)
Gaulton, A.
(Author)
Bento, A.P.
(Author)
Donadi, R.S.
(Author)
Bologa, C.G.
(Author)
Karlsson, A.
(Author)
Al-Lazikani, B.
(Author)
Hersey, A.
(Author)
Oprea, T.I.
(Author)
Overington, J.P.
(Author)
External identifiers
DOI:
10.1038/nrd.2016.230
EID:
2-s2.0-85000936652
ISBN:
14741784 14741776
Added
2020-11-20
Last modified
2022-05-31
Source:
Scopus - Elsevier
Scopus - Elsevier
Badapple: promiscuity patterns from noisy evidence.
2016 | Journal article
Contributors:
Yang JJ; Ursu O; Lipinski CA; Sklar LA; Oprea TI (and 1 more)
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Contributors
Yang JJ
(Author)
Ursu O
(Author)
Lipinski CA
(Author)
Sklar LA
(Author)
Oprea TI
(Author)
Bologa CG
(Author)
External identifiers
PMID:
27239230
PMC:
PMC4884375
DOI:
10.1186/s13321-016-0137-3
Added
2016-11-04
Last modified
2022-05-25
Source:
Europe PubMed Central
Europe PubMed Central
ChemProt-3.0: a global chemical biology diseases mapping.
2016 | Journal article
Contributors:
Kringelum J; Kjaerulff SK; Brunak S; Lund O; Oprea TI (and 1 more)
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Contributors
Kringelum J
(Author)
Kjaerulff SK
(Author)
Brunak S
(Author)
Lund O
(Author)
Oprea TI
(Author)
Taboureau O
(Author)
External identifiers
PMID:
26876982
PMC:
PMC4752971
DOI:
10.1093/database/bav123
Added
2016-11-04
Last modified
2022-05-25
Source:
Europe PubMed Central
Europe PubMed Central
Erratum: Impact of similarity threshold on the topology of molecular similarity networks and clustering outcomes (Journal of Cheminformatics (2016) 8:16 DOI 10.1186/s13321-016-0127-5)
Journal of Cheminformatics
2016 | Journal article
Contributors:
Zahoránszky-Kohalmi, G.; Bologa, C.G.; Ursu, O.; Oprea, T.I.
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Contributors
Zahoránszky-Kohalmi, G.
(Author)
Bologa, C.G.
(Author)
Ursu, O.
(Author)
Oprea, T.I.
(Author)
External identifiers
DOI:
10.1186/s13321-016-0140-8
EID:
2-s2.0-84974715252
ISBN:
17582946
Added
2020-11-20
Last modified
2022-05-31
Source:
Scopus - Elsevier
Scopus - Elsevier
Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015)
Pure and Applied Chemistry
2016 | Journal article
Contributors:
Martin, Y.C.; Abagyan, R.; Ferenczy, G.G.; Gillet, V.J.; Oprea, T.I. (and 3 more)
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Contributors
Martin, Y.C.
(Author)
Abagyan, R.
(Author)
Ferenczy, G.G.
(Author)
Gillet, V.J.
(Author)
Oprea, T.I.
(Author)
Ulander, J.
(Author)
Winkler, D.
(Author)
Zefirov, N.S.
(Author)
External identifiers
DOI:
10.1515/pac-2012-1204
EID:
2-s2.0-84962526213
ISBN:
13653075 00334545
Added
2020-11-20
Last modified
2022-05-31
Source:
Scopus - Elsevier
Scopus - Elsevier
Impact of similarity threshold on the topology of molecular similarity networks and clustering outcomes.
Homepage URL
Contributors
Zahoránszky-Kőhalmi G
(Author)
Bologa CG
(Author)
Oprea TI
(Author)
External identifiers
PMID:
27030802
PMC:
PMC4812625
DOI:
10.1186/s13321-016-0127-5
Added
2016-11-04
Last modified
2022-05-25
Source:
Europe PubMed Central
Europe PubMed Central
A Novel Pharmacologic Activity of Ketorolac for Therapeutic Benefit in Ovarian Cancer Patients.
2015-11 | Journal article
Contributors:
Guo Y; Kenney SR; Cook L; Adams SF; Rutledge T (and 10 more)
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Contributors
Guo Y
(Author)
Kenney SR
(Author)
Cook L
(Author)
Adams SF
(Author)
Rutledge T
(Author)
Romero E
(Author)
Oprea TI
(Author)
Sklar LA
(Author)
Bedrick E
(Author)
Wiggins CL
(Author)
Kang H
(Author)
Lomo L
(Author)
Muller CY
(Author)
Wandinger-Ness A
(Author)
Hudson LG
(Author)
External identifiers
PMID:
26071482
DOI:
10.1158/1078-0432.ccr-15-0461
Added
2016-11-04
Last modified
2022-05-25
Source:
Europe PubMed Central
Europe PubMed Central
P2Y2 receptor signaling in neutrophils is regulated from inside by a novel cytoskeleton-dependent mechanism.
2015-08 | Journal article
Contributors:
Gabl M; Winther M; Welin A; Karlsson A; Oprea T (and 3 more)
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Contributors
Gabl M
(Author)
Winther M
(Author)
Welin A
(Author)
Karlsson A
(Author)
Oprea T
(Author)
Bylund J
(Author)
Dahlgren C
(Author)
Forsman H
(Author)
External identifiers
PMID:
26192818
DOI:
10.1016/j.yexcr.2015.07.014
Added
2016-11-04
Last modified
2022-05-25
Source:
Europe PubMed Central
Europe PubMed Central