"DOX_BDW: Incorporating Solvation and Desolvation Effects of Cavity Water ..."

Jiaqi Liu et al. (2023)

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DOI: 10.1021/ACS.JCIM.3C00776

access: closed

type: Journal Article

metadata version: 2023-10-14

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  - https://dblp.org/rec/journals/jcisd/LiuWRSXR23
Jiaqi Liu, Jian Wan, Yanliang Ren, Xubo Shao, Xin Xu, Li Rao:
DOX_BDW: Incorporating Solvation and Desolvation Effects of Cavity Water into Nonfitting Protein-Ligand Binding Affinity Prediction. J. Chem. Inf. Model. 63(15): 4850-4863 (2023)

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