Modeling Local Structural Rearrangements Using FEP/REST: Application to Relative Binding Affinity Predictions of CDK2 Inhibitors
Lingle Wang(Schrodinger (United States)), Robert Abel(Schrodinger (United States)), John C. Shelley(Schrodinger (United States)), Yujie Wu(Schrodinger (United States)), Woody Sherman(Schrodinger (United States)), Jennifer L. Knight(Schrodinger (United States)), Yuqing Deng(Schrodinger (United States)), Byungchan Kim(Schrodinger (United States)), Lin Teng(Schrodinger (United States))
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