"Development and test of highly accurate endpoint free energy methods. 2: ..."

Yuchen Sun et al. (2023)

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DOI: 10.1002/JCC.27086

access: closed

type: Journal Article

metadata version: 2023-04-29

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Yuchen Sun, Tingjun Hou, Xibing He, Viet Hoang Man, Junmei Wang:
Development and test of highly accurate endpoint free energy methods. 2: Prediction of logarithm of n-octanol-water partition coefficient (logP) for druglike molecules using MM-PBSA method. J. Comput. Chem. 44(13): 1300-1311 (2023)

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