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

Xiao Liu et al. (2022)

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DOI: 10.1007/S10822-022-00475-0

access: closed

type: Journal Article

metadata version: 2023-03-21

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Xiao Liu, Lei Zheng, Chu Qin, John Z. H. Zhang, Zhaoxi Sun:
Comprehensive evaluation of end-point free energy techniques in carboxylated-pillar[6]arene host-guest binding: I. Standard procedure. J. Comput. Aided Mol. Des. 36(10): 735-752 (2022)

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