"Predicting the Relative Binding Affinity for Reversible Covalent ..."

Vinícius Bonatto et al. (2021)

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DOI: 10.1021/ACS.JCIM.1C00515

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type: Journal Article

metadata version: 2024-07-11

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Vinícius Bonatto, Anwar Shamim, Fernanda dos R. Rocho, Andrei Leitão, F. Javier Luque, Jerônimo Lameira, Carlos Alberto Montanari:
Predicting the Relative Binding Affinity for Reversible Covalent Inhibitors by Free Energy Perturbation Calculations. J. Chem. Inf. Model. 61(9): 4733-4744 (2021)

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