Prediction of Protein–Ligand Binding Structures by Replica-Exchange Umbrella Sampling Simulations: Application to Kinase Systems

Title
Prediction of Protein–Ligand Binding Structures by Replica-Exchange Umbrella Sampling Simulations: Application to Kinase Systems
Authors
Keywords
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Journal
Journal of Chemical Theory and Computation
Volume 9, Issue 10, Pages 4660-4671
Publisher
American Chemical Society (ACS)
Online
2013-09-04
DOI
10.1021/ct4004383

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