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Filtros : "Journal of Chemical Theory and Computation" "FCFRP-601" Limpar

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  • Artigo de periodico

    OPEP6: a new constant-pH molecular dynamics simulation scheme with OPEP coarse-grained force field (2019)

    Silva, Fernando Luís Barroso da ; Sterpone, Fabio; Derreumaux, Philippe

    Source: Journal of Chemical Theory and Computation. Unidade: FCFRP

    Subjects: SIMULAÇÃO, CRISTALOGRAFIA, CONFORMAÇÃO PROTEICA, PROTEÍNAS, QUÍMICA

    PrivadoAcesso à fonteDOIHow to cite
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    • ABNT

      SILVA, Fernando Luís Barroso da e STERPONE, Fabio e DERREUMAUX, Philippe. OPEP6: a new constant-pH molecular dynamics simulation scheme with OPEP coarse-grained force field. Journal of Chemical Theory and Computation, v. 15, n. 6, p. 3875-3888, 2019Tradução . . Disponível em: https://doi.org/10.1021/acs.jctc.9b00202. Acesso em: 08 nov. 2025.

    • APA

      Silva, F. L. B. da, Sterpone, F., & Derreumaux, P. (2019). OPEP6: a new constant-pH molecular dynamics simulation scheme with OPEP coarse-grained force field. Journal of Chemical Theory and Computation, 15( 6), 3875-3888. doi:10.1021/acs.jctc.9b00202

    • NLM

      Silva FLB da, Sterpone F, Derreumaux P. OPEP6: a new constant-pH molecular dynamics simulation scheme with OPEP coarse-grained force field [Internet]. Journal of Chemical Theory and Computation. 2019 ; 15( 6): 3875-3888.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1021/acs.jctc.9b00202

    • Vancouver

      Silva FLB da, Sterpone F, Derreumaux P. OPEP6: a new constant-pH molecular dynamics simulation scheme with OPEP coarse-grained force field [Internet]. Journal of Chemical Theory and Computation. 2019 ; 15( 6): 3875-3888.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1021/acs.jctc.9b00202

  • Artigo de periodico

    Benchmarking a fast proton titration scheme in implicit solvent for biomolecular simulations (2017)

    Silva, Fernando Luís Barroso da; MacKernan, Donal

    Source: Journal of Chemical Theory and Computation. Unidade: FCFRP

    Subjects: TECNOLOGIA DE ALIMENTOS, SOLVENTE, ESTÁTICA, PROTEÍNAS

    Acesso à fonteDOIHow to cite
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    • ABNT

      SILVA, Fernando Luís Barroso da e MACKERNAN, Donal. Benchmarking a fast proton titration scheme in implicit solvent for biomolecular simulations. Journal of Chemical Theory and Computation, v. 13, n. 6, p. 2915-2929, 2017Tradução . . Disponível em: https://doi.org/10.1021/acs.jctc.6b01114. Acesso em: 08 nov. 2025.

    • APA

      Silva, F. L. B. da, & MacKernan, D. (2017). Benchmarking a fast proton titration scheme in implicit solvent for biomolecular simulations. Journal of Chemical Theory and Computation, 13( 6), 2915-2929. doi:10.1021/acs.jctc.6b01114

    • NLM

      Silva FLB da, MacKernan D. Benchmarking a fast proton titration scheme in implicit solvent for biomolecular simulations [Internet]. Journal of Chemical Theory and Computation. 2017 ; 13( 6): 2915-2929.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1021/acs.jctc.6b01114

    • Vancouver

      Silva FLB da, MacKernan D. Benchmarking a fast proton titration scheme in implicit solvent for biomolecular simulations [Internet]. Journal of Chemical Theory and Computation. 2017 ; 13( 6): 2915-2929.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1021/acs.jctc.6b01114

  • Artigo de periodico

    Fast proton titration scheme for multiscale modeling of protein solutions (2010)

    Teixeira, André Azevedo Reis; Lund, Mikael; Silva, Fernando Luís Barroso da

    Source: Journal of Chemical Theory and Computation. Unidade: FCFRP

    Subjects: PROTEÍNAS DO LEITE, MÉTODO DE MONTE CARLO

    How to cite
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    • ABNT

      TEIXEIRA, André Azevedo Reis e LUND, Mikael e SILVA, Fernando Luís Barroso da. Fast proton titration scheme for multiscale modeling of protein solutions. Journal of Chemical Theory and Computation, v. 6, n. 10, p. 3259-3266, 2010Tradução . . Acesso em: 08 nov. 2025.

    • APA

      Teixeira, A. A. R., Lund, M., & Silva, F. L. B. da. (2010). Fast proton titration scheme for multiscale modeling of protein solutions. Journal of Chemical Theory and Computation, 6( 10), 3259-3266.

    • NLM

      Teixeira AAR, Lund M, Silva FLB da. Fast proton titration scheme for multiscale modeling of protein solutions. Journal of Chemical Theory and Computation. 2010 ; 6( 10): 3259-3266.[citado 2025 nov. 08 ]

    • Vancouver

      Teixeira AAR, Lund M, Silva FLB da. Fast proton titration scheme for multiscale modeling of protein solutions. Journal of Chemical Theory and Computation. 2010 ; 6( 10): 3259-3266.[citado 2025 nov. 08 ]
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