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

标题
Computing Relative Binding Affinity of Ligands to Receptor: An Effective Hybrid Single-Dual-Topology Free-Energy Perturbation Approach in NAMD
作者
关键词
-
出版物
Journal of Chemical Information and Modeling
Volume 59, Issue 9, Pages 3794-3802
出版商
American Chemical Society (ACS)
发表日期
2019-08-14
DOI
10.1021/acs.jcim.9b00362

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