Author: Csaba Hetényi

Drug Efficiency Indices for Improvement of Molecular Docking Scoring Functions

Mar 20, 2009 - Publication
A dataset of protein-drug complexes with experimental binding energy and crystal structure were analyzed and the performance of different docking engines and scoring functions (as well as…
peragovics

Statistical Ligand Efficiencies effect-specific compound library filtering

May 18, 2011 - Poster
Many outstanding library filtering tools are currently available for computational compound library filtering, however, only a few systematic, effect-specific screening methods exist. We …