Dockalicious module. Uploaded docked poses and receptor. Binana, ROC curves, ligand grep, etc. Click to look up in pubchem. Click to rescore using various scoring functions. Also, molecular properties. Rommie said to avoid Chemistry. Computer or biology might be better options.

BINANA is getting some good press. Consider an update (perhaps over course of MD trajectory). Maybe as part of the GREP program.

[project-management file=”Early-Career-Development-Program.xml”]