"Assessment of Reversibility for Covalent Cysteine Protease Inhibitors ..."

Alberto M. dos Santos et al. (2022)

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DOI: 10.1021/ACS.JCIM.2C00466

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type: Journal Article

metadata version: 2024-10-06

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Alberto M. dos Santos, Amanda Ruslana Santana Oliveira, Clauber Henrique Costa, Peter W. Kenny, Carlos Alberto Montanari, Jaldyr de Jesus G. Varela, Jerônimo Lameira:
Assessment of Reversibility for Covalent Cysteine Protease Inhibitors Using Quantum Mechanics/Molecular Mechanics Free Energy Surfaces. J. Chem. Inf. Model. 62(17): 4083-4094 (2022)

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