"Path-Based Nonequilibrium Binding Free Energy Estimation, from ..."

Eleonora Serra et al. (2025)

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DOI: 10.1021/ACS.JCIM.5C00452

access: closed

type: Journal Article

metadata version: 2025-07-17

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Eleonora Serra, Alessia Ghidini, Riccardo Aguti, Mattia Bernetti, Sergio Decherchi, Andrea Cavalli:
Path-Based Nonequilibrium Binding Free Energy Estimation, from Protein-Ligand to RNA-Ligand Binding. J. Chem. Inf. Model. 65(12): 6057-6072 (2025)

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