Filtros : "Journal of Chemical Information and Modeling" "Leitão, Andrei" Limpar

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  • Fonte: Journal of Chemical Information and Modeling. Unidade: IQSC

    Assuntos: MEDICAMENTO, ENZIMAS

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    • 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: 09 nov. 2025.
    • 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 2025 nov. 09 ] 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 2025 nov. 09 ] Available from: https://doi.org/10.1021/acs.jcim.1c00515
  • Fonte: Journal of Chemical Information and Modeling. Unidade: IQSC

    Assunto: QUÍMICA MÉDICA

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    • ABNT

      COSTA, Clauber H. S et al. Evaluating QM/MM Free Energy Surfaces for Ranking Cysteine Protease Covalent Inhibitors. Journal of Chemical Information and Modeling, p. 880-889, 2020Tradução . . Disponível em: https://doi.org/10.1021/acs.jcim.9b00847. Acesso em: 09 nov. 2025.
    • APA

      Costa, C. H. S., Bonatto, V., Santos, A. M. dos, Lameira, J., Leitão, A., & Montanari, C. A. (2020). Evaluating QM/MM Free Energy Surfaces for Ranking Cysteine Protease Covalent Inhibitors. Journal of Chemical Information and Modeling, 880-889. doi:10.1021/acs.jcim.9b00847
    • NLM

      Costa CHS, Bonatto V, Santos AM dos, Lameira J, Leitão A, Montanari CA. Evaluating QM/MM Free Energy Surfaces for Ranking Cysteine Protease Covalent Inhibitors [Internet]. Journal of Chemical Information and Modeling. 2020 ; 880-889.[citado 2025 nov. 09 ] Available from: https://doi.org/10.1021/acs.jcim.9b00847
    • Vancouver

      Costa CHS, Bonatto V, Santos AM dos, Lameira J, Leitão A, Montanari CA. Evaluating QM/MM Free Energy Surfaces for Ranking Cysteine Protease Covalent Inhibitors [Internet]. Journal of Chemical Information and Modeling. 2020 ; 880-889.[citado 2025 nov. 09 ] Available from: https://doi.org/10.1021/acs.jcim.9b00847
  • Fonte: Journal of Chemical Information and Modeling. Unidade: IQSC

    Assunto: DOENÇA DE CHAGAS

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    • ABNT

      SILVA, JoséRogerio A. et al. Assessment of the Cruzain Cysteine Protease Reversible and Irreversible Covalent Inhibition Mechanism. Journal of Chemical Information and Modeling, v. 60, n. 3, p. 1666-1677, 2020Tradução . . Disponível em: https://doi.org/10.1021/acs.jcim.9b01138. Acesso em: 09 nov. 2025.
    • APA

      Silva, J. R. A., Cianni, L., Araujo, D., Batista, P. H. J., Vita, D. de, Rosini, F., et al. (2020). Assessment of the Cruzain Cysteine Protease Reversible and Irreversible Covalent Inhibition Mechanism. Journal of Chemical Information and Modeling, 60( 3), 1666-1677. doi:10.1021/acs.jcim.9b01138
    • NLM

      Silva JRA, Cianni L, Araujo D, Batista PHJ, Vita D de, Rosini F, Leitão A, Lameira J, Montanari CA. Assessment of the Cruzain Cysteine Protease Reversible and Irreversible Covalent Inhibition Mechanism [Internet]. Journal of Chemical Information and Modeling. 2020 ; 60( 3): 1666-1677.[citado 2025 nov. 09 ] Available from: https://doi.org/10.1021/acs.jcim.9b01138
    • Vancouver

      Silva JRA, Cianni L, Araujo D, Batista PHJ, Vita D de, Rosini F, Leitão A, Lameira J, Montanari CA. Assessment of the Cruzain Cysteine Protease Reversible and Irreversible Covalent Inhibition Mechanism [Internet]. Journal of Chemical Information and Modeling. 2020 ; 60( 3): 1666-1677.[citado 2025 nov. 09 ] Available from: https://doi.org/10.1021/acs.jcim.9b01138

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