A new strategy to model the mechanism of action of covalent inhibitors (2022)
- Authors:
- USP affiliated authors: MONTANARI, CARLOS ALBERTO - IQSC ; BONATTO, VINÍCIUS - IQSC
- Unidade: IQSC
- Subjects: ESTRUTURA ELETRÔNICA; NITRILAS
- Keywords: covalent inhibitors;; free energy perturbation; cluster approach; warhead
- Agências de fomento:
- Language: Inglês
- Imprenta:
- Source:
- Título: Livro de Resumos
- Conference titles: Simpósio de Estrutura Eletrônica e Dinâmica Molecular - SEEDMOL
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ABNT
BONATTO, Vinícius et al. A new strategy to model the mechanism of action of covalent inhibitors. 2022, Anais.. Brasília: Instituto de Química de São Carlos, Universidade de São Paulo, 2022. Disponível em: https://repositorio.usp.br/directbitstream/91f0655c-30cf-45d4-ab03-731ea11970ad/P22199.pdf. Acesso em: 14 fev. 2026. -
APA
Bonatto, V., Lameira, J., Luque, F. J., & Montanari, C. A. (2022). A new strategy to model the mechanism of action of covalent inhibitors. In Livro de Resumos. Brasília: Instituto de Química de São Carlos, Universidade de São Paulo. Recuperado de https://repositorio.usp.br/directbitstream/91f0655c-30cf-45d4-ab03-731ea11970ad/P22199.pdf -
NLM
Bonatto V, Lameira J, Luque FJ, Montanari CA. A new strategy to model the mechanism of action of covalent inhibitors [Internet]. Livro de Resumos. 2022 ;[citado 2026 fev. 14 ] Available from: https://repositorio.usp.br/directbitstream/91f0655c-30cf-45d4-ab03-731ea11970ad/P22199.pdf -
Vancouver
Bonatto V, Lameira J, Luque FJ, Montanari CA. A new strategy to model the mechanism of action of covalent inhibitors [Internet]. Livro de Resumos. 2022 ;[citado 2026 fev. 14 ] Available from: https://repositorio.usp.br/directbitstream/91f0655c-30cf-45d4-ab03-731ea11970ad/P22199.pdf - Evaluating the protonation state of the catalytic Cys25 in cruzain cysteine protease: A target for Chagas disease
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