Predicting the Relative Binding Affinity for Reversible Covalent Inhibitors by Free Energy Perturbation Calculations (2021)
- Authors:
- USP affiliated authors: LEITÃO, ANDREI - IQSC ; MONTANARI, CARLOS ALBERTO - IQSC ; BONATTO, VINÍCIUS - IQSC ; SHAMIM, ANWAR - IQSC ; ROCHO, FERNANDA DOS REIS - IQSC
- Unidade: IQSC
- DOI: 10.1021/acs.jcim.1c00515
- Subjects: MEDICAMENTO; ENZIMAS
- Agências de fomento:
- Language: Inglês
- Imprenta:
- Publisher place: Washington
- Date published: 2021
- Source:
- Título do periódico: Journal of Chemical Information and Modeling
- ISSN: 1549-9596
- Volume/Número/Paginação/Ano: v. 61, p. 4733−4744, aug. 2021
- Este periódico é de assinatura
- Este artigo NÃO é de acesso aberto
- Cor do Acesso Aberto: closed
-
ABNT
BONATTO, Vinícius et al. Predicting the Relative Binding Affinity for Reversible Covalent Inhibitors by Free Energy Perturbation Calculations. Journal of Chemical Information and Modeling, v. 61, p. 4733−4744, 2021Tradução . . Disponível em: https://doi.org/10.1021/acs.jcim.1c00515. Acesso em: 02 maio 2024. -
APA
Bonatto, V., Shamim, A., Rocho, F. dos R., Leitão, A., Luque, F. J., & Montanari, C. A. (2021). Predicting the Relative Binding Affinity for Reversible Covalent Inhibitors by Free Energy Perturbation Calculations. Journal of Chemical Information and Modeling, 61, 4733−4744. doi:10.1021/acs.jcim.1c00515 -
NLM
Bonatto V, Shamim A, Rocho F dos R, Leitão A, Luque FJ, Montanari CA. Predicting the Relative Binding Affinity for Reversible Covalent Inhibitors by Free Energy Perturbation Calculations [Internet]. Journal of Chemical Information and Modeling. 2021 ; 61 4733−4744.[citado 2024 maio 02 ] Available from: https://doi.org/10.1021/acs.jcim.1c00515 -
Vancouver
Bonatto V, Shamim A, Rocho F dos R, Leitão A, Luque FJ, Montanari CA. Predicting the Relative Binding Affinity for Reversible Covalent Inhibitors by Free Energy Perturbation Calculations [Internet]. Journal of Chemical Information and Modeling. 2021 ; 61 4733−4744.[citado 2024 maio 02 ] Available from: https://doi.org/10.1021/acs.jcim.1c00515 - Differential specificity of SARS-CoV-2 main protease variants on peptide versus protein-based substrates
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Informações sobre o DOI: 10.1021/acs.jcim.1c00515 (Fonte: oaDOI API)
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