Use of Molecular Dynamics Simulations in Structure-Based Drug Discovery
Author:
Affiliation:
1. Department of Chemical and Biomolecular Engineering, University of Maryland, College Park, MD, United States
2. Structural Biology and Bioinformatics Department, CSIR-IICB, Kolkata, India
Abstract
Publisher
Bentham Science Publishers Ltd.
Subject
Drug Discovery,Pharmacology
Reference127 articles.
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3. Boehr D.D.; Nussinov R.; Wright P.E.; The role of dynamic conformational ensembles in biomolecular recognition. Nat Chem Biol 2009,5(11),789-796
4. Borhani D.W.; Shaw D.E.; The future of molecular dynamics simulations in drug discovery. J Comput Aided Mol Des 2012,26(1),15-26
5. Carlson H.A.; Protein flexibility and drug design: how to hit a moving target. Curr Opin Chem Biol 2002,6(4),447-452
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