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Modeling Local Structural Rearrangements Using FEP/REST: ... | ResearchHub
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Modeling Local Structural Rearrangements Using FEP/REST: Application to Relative Binding Affinity Predictions of CDK2 Inhibitors
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Authors
Lingle Wang
8 more
Lingle Wang
•
Yuqing Deng
6 more
•
Robert Abel
Published
January 16, 2013
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Journal
Journal of Chemical Theory and Computation
Topics
Computer Science
Materials Science
Physics
Chemistry
Nuclear Physics
Show all topics
DOI
10.1021/ct300911a
