Overcoming Free-Energy Barriers with a Seamless Combination of a Biasing Force and a Collective Variable-Independent Boost Potential - Archive ouverte HAL Accéder directement au contenu
Article Dans Une Revue Journal of Chemical Theory and Computation Année : 2021
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hal-03786790 , version 1 (23-09-2022)

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Haochuan Chen, Haohao Fu, Christophe Chipot, Xueguang Shao, Wensheng Cai. Overcoming Free-Energy Barriers with a Seamless Combination of a Biasing Force and a Collective Variable-Independent Boost Potential. Journal of Chemical Theory and Computation, 2021, 17 (7), pp.3886--3894. ⟨10.1021/acs.jctc.1c00103⟩. ⟨hal-03786790⟩
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