Improved protein–ligand binding affinity prediction by using a curvature-dependent surface-area model

Motivation: Hydrophobic effect plays a pivotal role in most protein–ligand binding. State-of-the-art protein–ligand scoring methods usually treat hydrophobic free energy as surface tension, which is proportional to interfacial surface area for simplicity and efficiency. However, this treatment ignor...

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Veröffentlicht in:	Bioinformatics (Oxford, England) Jg. 30; H. 12; S. 1674 - 1680
Hauptverfasser:	Cao, Yang, Li, Lei
Format:	Journal Article
Sprache:	Englisch
Veröffentlicht:	England 15.06.2014
Schlagworte:	Entropy Hydrogen Bonding Hydrophobic and Hydrophilic Interactions Ligands Models, Chemical Protein Binding Proteins - chemistry Software
ISSN:	1367-4803, 1367-4811, 1367-4811
Online-Zugang:	Volltext
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