Modeling Local Structural Rearrangements Using FEP/REST: Application to Relative Binding Affinity Predictions of CDK2 Inhibitors

标题
Modeling Local Structural Rearrangements Using FEP/REST: Application to Relative Binding Affinity Predictions of CDK2 Inhibitors
作者
关键词
-
出版物
Journal of Chemical Theory and Computation
Volume 9, Issue 2, Pages 1282-1293
出版商
American Chemical Society (ACS)
发表日期
2013-01-16
DOI
10.1021/ct300911a

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