Systematic exploration of multiple drug binding sites

Systematic exploration of multiple drug binding sites

Abstract Background Targets with multiple (prerequisite or allosteric) binding sites have an increasing importance in drug design. Experimental determination of atomic resolution structures of ligands weakly bound to multiple binding sites is often challenging. Blind docking has been widely used for...

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Bibliographic Details
Main Authors: Mónika Bálint, Norbert Jeszenői, István Horváth, David van der Spoel, Csaba Hetényi
Format: Article
Language:English
Published: BMC 2017-12-01
Series:Journal of Cheminformatics
Subjects:
Peptide
Search
Pocket
Pharmacodynamics
Water
Interaction
Online Access:http://link.springer.com/article/10.1186/s13321-017-0255-6

Internet

http://link.springer.com/article/10.1186/s13321-017-0255-6

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