Vinícius Bonatto

Predicting the affinity of halogenated reversible covalent inhibitors through relative binding free energy

Jerônimo Lameira, Vinícius Bonatto, Lorenzo Cianni et al. · Physical Chemistry Chemical Physics · 2019 · 36 citations · Full text

Evaluating QM/MM Free Energy Surfaces for Ranking Cysteine Protease Covalent Inhibitors

Clauber Henrique Souza da Costa, Vinícius Bonatto, Alberto Santos et al. · Journal of Chemical Information and Modeling · 2020 · 31 citations · Full text

Protein Chemistry, Reaction Free Energy, Medicinal Chemistry +14

Predicting the Relative Binding Affinity for Reversible Covalent Inhibitors by Free Energy Perturbation Calculations

Vinícius Bonatto, Anwar Shamim, Fernanda dos Reis Rocho et al. · Journal of Chemical Information and Modeling · 2021 · 24 citations

Covalent Inhibitors, Engineering, Molecular Biology +16

Optimization strategy of single-digit nanomolar cross-class inhibitors of mammalian and protozoa cysteine proteases

Lorenzo Cianni, Fernanda dos Reis Rocho, Fabiana Rosini et al. · Bioorganic Chemistry · 2020 · 16 citations

Medicinal Chemistry, Optimization Strategy, Biochemistry +8

On the intrinsic reactivity of highly potent trypanocidal cruzain inhibitors

Vinícius Bonatto, Pedro Henrique Jataí Batista, Lorenzo Cianni et al. · RSC Medicinal Chemistry · 2020 · 10 citations · Full text