Accelerating the Calculation of Protein–Ligand Binding Free Energy and Residence Times Using Dynamically Optimized Collective Variables

Published 2018 View Full Article

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Title
Accelerating the Calculation of Protein–Ligand Binding Free Energy and Residence Times Using Dynamically Optimized Collective Variables
Authors
Keywords
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Journal
Journal of Chemical Theory and Computation
Volume 15, Issue 1, Pages 743-750
Publisher
American Chemical Society (ACS)
Online
2018-12-12
DOI
10.1021/acs.jctc.8b00934

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