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Filtros : "Journal of Chemical Information and Modeling" "MECÂNICA QUÂNTICA" Limpar

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  • Artigo de periodico

    Redox activated proton transfer through a redundant network in the Qo site of Cytochrome bc1 (2025)

    Arantes, Guilherme Menegon

    Fonte: Journal of Chemical Information and Modeling. Unidade: IQ

    Assuntos: MECÂNICA QUÂNTICA, OXIDAÇÃO, REDUÇÃO

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    • ABNT

      ARANTES, Guilherme Menegon. Redox activated proton transfer through a redundant network in the Qo site of Cytochrome bc1. Journal of Chemical Information and Modeling, v. 65, n. 5, p. 2660−2669, 2025Tradução . . Disponível em: https://dx.doi.org/10.1021/acs.jcim.4c02361. Acesso em: 09 nov. 2025.

    • APA

      Arantes, G. M. (2025). Redox activated proton transfer through a redundant network in the Qo site of Cytochrome bc1. Journal of Chemical Information and Modeling, 65( 5), 2660−2669. doi:10.1021/acs.jcim.4c02361

    • NLM

      Arantes GM. Redox activated proton transfer through a redundant network in the Qo site of Cytochrome bc1 [Internet]. Journal of Chemical Information and Modeling. 2025 ; 65( 5): 2660−2669.[citado 2025 nov. 09 ] Available from: https://dx.doi.org/10.1021/acs.jcim.4c02361

    • Vancouver

      Arantes GM. Redox activated proton transfer through a redundant network in the Qo site of Cytochrome bc1 [Internet]. Journal of Chemical Information and Modeling. 2025 ; 65( 5): 2660−2669.[citado 2025 nov. 09 ] Available from: https://dx.doi.org/10.1021/acs.jcim.4c02361

  • Artigo de periodico

    Assessment of Reversibility for Covalent Cysteine Protease Inhibitors Using Quantum Mechanics/Molecular Mechanics Free Energy Surfaces (2022)

    Santos, Alberto M. Dos; Oliveira, Amanda Ruslana Santana; Costa, Clauber H. S. da; Kenny, Peter W.; Montanari, Carlos Alberto ; Varela Júnior, Jaldyr de Jesus G.; Lameira, Jerônimo

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

    Assuntos: AMINOÁCIDOS, MECÂNICA QUÂNTICA, ENERGIA

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    • ABNT

      SANTOS, Alberto M. Dos et al. Assessment of Reversibility for Covalent Cysteine Protease Inhibitors Using Quantum Mechanics/Molecular Mechanics Free Energy Surfaces. Journal of Chemical Information and Modeling, v. 62, p. 4083-4094, 2022Tradução . . Disponível em: https://doi.org/10.1021/acs.jcim.2c00466. Acesso em: 09 nov. 2025.

    • APA

      Santos, A. M. D., Oliveira, A. R. S., Costa, C. H. S. da, Kenny, P. W., Montanari, C. A., Varela Júnior, J. de J. G., & Lameira, J. (2022). Assessment of Reversibility for Covalent Cysteine Protease Inhibitors Using Quantum Mechanics/Molecular Mechanics Free Energy Surfaces. Journal of Chemical Information and Modeling, 62, 4083-4094. doi:10.1021/acs.jcim.2c00466

    • NLM

      Santos AMD, Oliveira ARS, Costa CHS da, Kenny PW, Montanari CA, Varela Júnior J de JG, Lameira J. Assessment of Reversibility for Covalent Cysteine Protease Inhibitors Using Quantum Mechanics/Molecular Mechanics Free Energy Surfaces [Internet]. Journal of Chemical Information and Modeling. 2022 ; 62 4083-4094.[citado 2025 nov. 09 ] Available from: https://doi.org/10.1021/acs.jcim.2c00466

    • Vancouver

      Santos AMD, Oliveira ARS, Costa CHS da, Kenny PW, Montanari CA, Varela Júnior J de JG, Lameira J. Assessment of Reversibility for Covalent Cysteine Protease Inhibitors Using Quantum Mechanics/Molecular Mechanics Free Energy Surfaces [Internet]. Journal of Chemical Information and Modeling. 2022 ; 62 4083-4094.[citado 2025 nov. 09 ] Available from: https://doi.org/10.1021/acs.jcim.2c00466

  • Artigo de periodico

    Unraveling the Electric Field-Induced Second Harmonic Generation Responses of Stilbazolium Ion Pairs Complexes in Solution Using a Multiscale Simulation Method (2020)

    Ramos, Tárcius ; Canuto, Sylvio Roberto Accioly ; Champagne, Benoît

    Fonte: Journal of Chemical Information and Modeling. Unidade: IF

    Assuntos: FÍSICO-QUÍMICA, ÍONS ELETRÔNICOS, ÓPTICA NÃO LINEAR, MECÂNICA QUÂNTICA

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    • ABNT

      RAMOS, Tárcius e CANUTO, Sylvio Roberto Accioly e CHAMPAGNE, Benoît. Unraveling the Electric Field-Induced Second Harmonic Generation Responses of Stilbazolium Ion Pairs Complexes in Solution Using a Multiscale Simulation Method. Journal of Chemical Information and Modeling, v. 60, n. 10, p. 4817–4826, 2020Tradução . . Disponível em: https://doi.org/10.1021/acs.jcim.9b01161. Acesso em: 09 nov. 2025.

    • APA

      Ramos, T., Canuto, S. R. A., & Champagne, B. (2020). Unraveling the Electric Field-Induced Second Harmonic Generation Responses of Stilbazolium Ion Pairs Complexes in Solution Using a Multiscale Simulation Method. Journal of Chemical Information and Modeling, 60( 10), 4817–4826. doi:10.1021/acs.jcim.9b01161

    • NLM

      Ramos T, Canuto SRA, Champagne B. Unraveling the Electric Field-Induced Second Harmonic Generation Responses of Stilbazolium Ion Pairs Complexes in Solution Using a Multiscale Simulation Method [Internet]. Journal of Chemical Information and Modeling. 2020 ; 60( 10): 4817–4826.[citado 2025 nov. 09 ] Available from: https://doi.org/10.1021/acs.jcim.9b01161

    • Vancouver

      Ramos T, Canuto SRA, Champagne B. Unraveling the Electric Field-Induced Second Harmonic Generation Responses of Stilbazolium Ion Pairs Complexes in Solution Using a Multiscale Simulation Method [Internet]. Journal of Chemical Information and Modeling. 2020 ; 60( 10): 4817–4826.[citado 2025 nov. 09 ] Available from: https://doi.org/10.1021/acs.jcim.9b01161
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