𝔖 Bobbio Scriptorium
✦   LIBER   ✦

How Good Are State-of-the-Art Docking Tools in Predicting Ligand Binding Modes in Protein–Protein Interfaces?

✍ Scribed by Krüger, Dennis M.; Jessen, Gisela; Gohlke, Holger


Book ID
115530959
Publisher
American Chemical Society
Year
2012
Tongue
English
Weight
648 KB
Volume
52
Category
Article
ISSN
0095-2338

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Are AM1 ligand-protein binding enthalpie
✍ R. Villar; M. J. Gil; J. I. García; V. Martínez-Merino 📂 Article 📅 2005 🏛 John Wiley and Sons 🌐 English ⚖ 306 KB

## Abstract We have examined the performance of semiempirical quantum mechanical methods in solving the problem of accurately predicting protein‐ligand binding energies and geometries. Firstly, AM1 and PM3 geometries and binding enthalpies between small molecules that simulate typical ligand‐protei

Role of binding entropy in the refinemen
✍ 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