Relative Ligand-Binding Free Energies Calculated from Multiple Short QM/MM MD Simulations

Published 2018 View Full Article

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Title
Relative Ligand-Binding Free Energies Calculated from Multiple Short QM/MM MD Simulations
Authors
Keywords
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Journal
Journal of Chemical Theory and Computation
Volume 14, Issue 6, Pages 3228-3237
Publisher
American Chemical Society (ACS)
Online
2018-05-17
DOI
10.1021/acs.jctc.8b00081

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