"Comprehensive evaluation of end-point free energy techniques in ..."

Xiao Liu et al. (2022)

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DOI: 10.1007/S10822-022-00487-W

access: closed

type: Journal Article

metadata version: 2024-05-07

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  - https://dblp.org/rec/journals/jcamd/LiuZCGYZLS22
Xiao Liu, Lei Zheng, Yalong Cong, Zhihao Gong, Zhixiang Yin, John Z. H. Zhang, Zhirong Liu, Zhaoxi Sun:
Comprehensive evaluation of end-point free energy techniques in carboxylated-pillar[6]arene host-guest binding: II. regression and dielectric constant. J. Comput. Aided Mol. Des. 36(12): 879-894 (2022)

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