Section III

Cheminformatics: Assignments

Assignment 1:

• take a list of 2D hits from PubChem that are similar to estradiol
• dock them into ERAlpha, ERRGamma and AR (Target Based Virtual Screening, TBVS)
• perform similarity searching against known ERAlpha, ERRGamma and AR ligands (Ligand Based Virtual Screening, LBVS)