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Modeling Local Structural Rearrangements Using FEP/REST: Application to Relative Binding Affinity Predictions of CDK2 Inhibitors
Wang, Lingle, Deng, Yuqing, Knight, Jennifer L., Wu, Yujie, Kim, Byungchan, Sherman, Woody, Shelley, John C., Lin, Teng, Abel, RobertVolume:
9
Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/ct300911a
Date:
February, 2013
File:
PDF, 460 KB
english, 2013