Computing Relative Binding Affinity of Ligands to Receptor: An Effective Hybrid Single-Dual-Topology Free-Energy Perturbation Approach in NAMD

Published 2019 View Full Article

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Title
Computing Relative Binding Affinity of Ligands to Receptor: An Effective Hybrid Single-Dual-Topology Free-Energy Perturbation Approach in NAMD
Authors
Keywords
-
Journal
Journal of Chemical Information and Modeling
Volume 59, Issue 9, Pages 3794-3802
Publisher
American Chemical Society (ACS)
Online
2019-08-14
DOI
10.1021/acs.jcim.9b00362

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