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"Computing Relative Binding Affinity of Ligands to Receptor: An Effective ..."

Wei Jiang, Christophe Chipot, Benoît Roux (2019)

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DOI: 10.1021/ACS.JCIM.9B00362

access: closed

type: Journal Article

metadata version: 2021-09-01

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  - journals/jcisd/JiangCR19
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  - https://dblp.org/rec/journals/jcisd/JiangCR19
Wei Jiang, Christophe Chipot, Benoît Roux:
Computing Relative Binding Affinity of Ligands to Receptor: An Effective Hybrid Single-Dual-Topology Free-Energy Perturbation Approach in NAMD. J. Chem. Inf. Model. 59(9): 3794-3802 (2019)

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