"Evaluating QM/MM Free Energy Surfaces for Ranking Cysteine Protease ..."

Clauber Henrique Costa et al. (2020)

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DOI: 10.1021/ACS.JCIM.9B00847

access: closed

type: Journal Article

metadata version: 2024-10-06

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Clauber Henrique Costa, Vinícius Bonatto, Alberto M. dos Santos, Jerônimo Lameira, Andrei Leitão, Carlos Alberto Montanari:
Evaluating QM/MM Free Energy Surfaces for Ranking Cysteine Protease Covalent Inhibitors. J. Chem. Inf. Model. 60(2): 880-889 (2020)

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