Copyright 2007-2010  BiochemLabSolutions.com 


Drug-like small molecules follow certain rules: they should be not too big, not too hydrophilic, not too hydrophobic etc. This utility helps filter out obviously "bad" PDB ligands from any PDB library before they are converted to PDBQT and submitted to screening. It takes a few seconds to process 1000 molecules with this utility and reduces screening time by hours, weeks or months.

This utility is not part of VcPpt and is provided separately.
Ligand pre-screening drug-likeliness filter
Biochem Lab Solutions drug-likeliness sorting tool
Release pending.
Protein-ligand docking and in silico high-thoughput screening for Windows