"Accelerating and Automating the Free Energy Perturbation Absolute Binding ..."

Runduo Liu et al. (2023)

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DOI: 10.1021/ACS.JCIM.3C01670

access: closed

type: Journal Article

metadata version: 2025-06-11

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Runduo Liu, Wenchao Li, Yufen Yao, Yinuo Wu, Hai-Bin Luo, Zhe Li:
Accelerating and Automating the Free Energy Perturbation Absolute Binding Free Energy Calculation with the RED-E Function. J. Chem. Inf. Model. 63(24): 7755-7767 (2023)

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