Implementation of chemometric methodology in ACE: Predictive investigation of protein–ligand binding

Role of binding entropy in the refinemen

Role of binding entropy in the refinement of protein–ligand docking predictions: Analysis based on the use of 11 scoring functions

✍ Anatoly M. Ruvinsky 📂 Article 📅 2007 🏛 John Wiley and Sons 🌐 English ⚖ 174 KB

## Abstract We present results of testing the ability of eleven popular scoring functions to predict native docked positions using a recently developed method (Ruvinsky and Kozintsev, J Comput Chem 2005, 26, 1089) for estimation the entropy contributions of relative motions to protein‐ligand bindin