"Computing conformational free energy differences in explicit solvent: An ..."

Robert C. Harris et al. (2017)

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DOI: 10.1002/JCC.24668

access: closed

type: Journal Article

metadata version: 2020-06-15

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Robert C. Harris, Nan-Jie Deng, Ronald M. Levy, Ryosuke Ishizuka, Nobuyuki Matubayasi:
Computing conformational free energy differences in explicit solvent: An efficient thermodynamic cycle using an auxiliary potential and a free energy functional constructed from the end points. J. Comput. Chem. 38(15): 1198-1208 (2017)

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