Computing Relative Binding Affinity of Ligands to Receptor: An Effective Hybrid Single-Dual-Topology Free-Energy Perturbation Approach in NAMD - Université de Lorraine Access content directly
Journal Articles Journal of Chemical Information and Modeling Year : 2019

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hal-03603209 , version 1 (09-03-2022)

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Wei Jiang, Christophe Chipot, Benoit Roux. Computing Relative Binding Affinity of Ligands to Receptor: An Effective Hybrid Single-Dual-Topology Free-Energy Perturbation Approach in NAMD. Journal of Chemical Information and Modeling, 2019, 59 (9), pp.3794--3802. ⟨10.1021/acs.jcim.9b00362⟩. ⟨hal-03603209⟩
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