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William Sinko, Steffen Lindert and J. Andrew McCammon Accounting for Receptor Flexibility and Enhanced Sampling Methods in Computer-Aided Drug Design Chemical Biology & Drug Design 81

Version of Record online: 17 DEC 2012 | DOI: 10.1111/cbdd.12051

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Protein flexibility plays a major role in biomolecular recognition and drug binding. Here we review a number of techniques that have been proposed to accommodate receptor flexibility in the simulation of small molecules binding to protein receptors.

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