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Filtros : "DIAS, LUIS GUSTAVO" "ELETROSTÁTICA" Removido: "2024" Limpar

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  • Artigo de periodico

    Self-assembly of phosphocholine derivatives using the ELBA coarse-grained model: micelles, bicelles, and reverse micelles (2020)

    Souza, Rafael Maglia de ; Ratochinski, Rafael Henrique; Karttunen, Mikko; Dias, Luis Gustavo

    Source: Journal of Chemical Information and Modeling. Unidade: FFCLRP

    Subjects: LIPÍDEOS, ELETROSTÁTICA, MOLÉCULA, QUÍMICA

    PrivadoAcesso à fonteDOIHow to cite
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    • ABNT

      SOUZA, Rafael Maglia de et al. Self-assembly of phosphocholine derivatives using the ELBA coarse-grained model: micelles, bicelles, and reverse micelles. Journal of Chemical Information and Modeling, v. 60, n. 2, p. 522-536, 2020Tradução . . Disponível em: https://doi.org/10.1021/acs.jcim.9b00790. Acesso em: 27 nov. 2025.

    • APA

      Souza, R. M. de, Ratochinski, R. H., Karttunen, M., & Dias, L. G. (2020). Self-assembly of phosphocholine derivatives using the ELBA coarse-grained model: micelles, bicelles, and reverse micelles. Journal of Chemical Information and Modeling, 60( 2), 522-536. doi:10.1021/acs.jcim.9b00790

    • NLM

      Souza RM de, Ratochinski RH, Karttunen M, Dias LG. Self-assembly of phosphocholine derivatives using the ELBA coarse-grained model: micelles, bicelles, and reverse micelles [Internet]. Journal of Chemical Information and Modeling. 2020 ; 60( 2): 522-536.[citado 2025 nov. 27 ] Available from: https://doi.org/10.1021/acs.jcim.9b00790

    • Vancouver

      Souza RM de, Ratochinski RH, Karttunen M, Dias LG. Self-assembly of phosphocholine derivatives using the ELBA coarse-grained model: micelles, bicelles, and reverse micelles [Internet]. Journal of Chemical Information and Modeling. 2020 ; 60( 2): 522-536.[citado 2025 nov. 27 ] Available from: https://doi.org/10.1021/acs.jcim.9b00790

  • Artigo de periodico

    Parameterization of a coarse-grained model of cholesterol with point-dipole electrostatics (2018)

    Siani, Paulo ; Khandelia, H.; Orsi, M.; Dias, Luís Gustavo

    Source: Journal of Computer-Aided Molecular Design. Unidade: FFCLRP

    Subjects: COLESTEROL, QUÍMICA, TERMODINÂMICA, ELETROSTÁTICA

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    • ABNT

      SIANI, Paulo et al. Parameterization of a coarse-grained model of cholesterol with point-dipole electrostatics. Journal of Computer-Aided Molecular Design, v. 32, n. 11, p. 1259-1271, 2018Tradução . . Disponível em: https://doi.org/10.1007/s10822-018-0164-4. Acesso em: 27 nov. 2025.

    • APA

      Siani, P., Khandelia, H., Orsi, M., & Dias, L. G. (2018). Parameterization of a coarse-grained model of cholesterol with point-dipole electrostatics. Journal of Computer-Aided Molecular Design, 32( 11), 1259-1271. doi:10.1007/s10822-018-0164-4

    • NLM

      Siani P, Khandelia H, Orsi M, Dias LG. Parameterization of a coarse-grained model of cholesterol with point-dipole electrostatics [Internet]. Journal of Computer-Aided Molecular Design. 2018 ; 32( 11): 1259-1271.[citado 2025 nov. 27 ] Available from: https://doi.org/10.1007/s10822-018-0164-4

    • Vancouver

      Siani P, Khandelia H, Orsi M, Dias LG. Parameterization of a coarse-grained model of cholesterol with point-dipole electrostatics [Internet]. Journal of Computer-Aided Molecular Design. 2018 ; 32( 11): 1259-1271.[citado 2025 nov. 27 ] Available from: https://doi.org/10.1007/s10822-018-0164-4

  • Artigo de periodico

    Development of constant-pH simulation methods in implicit solvent and applications in biomolecular systems (2017)

    Silva, Fernando Luís Barroso da; Dias, Luis Gustavo

    Source: Biophysical Reviews. Unidades: FCFRP, FFCLRP

    Subjects: BIOFÍSICA, FÍSICO-QUÍMICA, RNA, ELETROSTÁTICA, MÉTODO DE MONTE CARLO

    Acesso à fonteDOIHow to cite
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    • ABNT

      SILVA, Fernando Luís Barroso da e DIAS, Luis Gustavo. Development of constant-pH simulation methods in implicit solvent and applications in biomolecular systems. Biophysical Reviews, v. 9, n. 5, p. 699-728, 2017Tradução . . Disponível em: https://doi.org/10.1007/s12551-017-0311-5. Acesso em: 27 nov. 2025.

    • APA

      Silva, F. L. B. da, & Dias, L. G. (2017). Development of constant-pH simulation methods in implicit solvent and applications in biomolecular systems. Biophysical Reviews, 9( 5), 699-728. doi:10.1007/s12551-017-0311-5

    • NLM

      Silva FLB da, Dias LG. Development of constant-pH simulation methods in implicit solvent and applications in biomolecular systems [Internet]. Biophysical Reviews. 2017 ; 9( 5): 699-728.[citado 2025 nov. 27 ] Available from: https://doi.org/10.1007/s12551-017-0311-5

    • Vancouver

      Silva FLB da, Dias LG. Development of constant-pH simulation methods in implicit solvent and applications in biomolecular systems [Internet]. Biophysical Reviews. 2017 ; 9( 5): 699-728.[citado 2025 nov. 27 ] Available from: https://doi.org/10.1007/s12551-017-0311-5

  • Artigo de periodico

    An overview of molecular dynamics simulations of oxidized lipid systems, with a comparison of ELBA and MARTINI force fields for coarse grained lipid simulations (2016)

    Siani, Paulo; Souza, Rafael Maglia de; Khandelia, H.; Itri, Rosangela ; Dias, Luís Gustavo

    Source: Biochimica et Biophysica Acta (BBA) - Biomembranes. Unidades: IF, FFCLRP

    Subjects: ESPECTROSCOPIA, ELETROSTÁTICA

    Versão PublicadaAcesso à fonteAcesso à fonteDOIHow to cite
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    • ABNT

      SIANI, Paulo et al. An overview of molecular dynamics simulations of oxidized lipid systems, with a comparison of ELBA and MARTINI force fields for coarse grained lipid simulations. Biochimica et Biophysica Acta (BBA) - Biomembranes, v. 1858, n. 10, p. 2498-2511, 2016Tradução . . Disponível em: http://www.sciencedirect.com/science/article/pii/S0005273616301171. Acesso em: 27 nov. 2025.

    • APA

      Siani, P., Souza, R. M. de, Khandelia, H., Itri, R., & Dias, L. G. (2016). An overview of molecular dynamics simulations of oxidized lipid systems, with a comparison of ELBA and MARTINI force fields for coarse grained lipid simulations. Biochimica et Biophysica Acta (BBA) - Biomembranes, 1858( 10), 2498-2511. doi:10.1016/j.bbamem.2016.03.031

    • NLM

      Siani P, Souza RM de, Khandelia H, Itri R, Dias LG. An overview of molecular dynamics simulations of oxidized lipid systems, with a comparison of ELBA and MARTINI force fields for coarse grained lipid simulations [Internet]. Biochimica et Biophysica Acta (BBA) - Biomembranes. 2016 ; 1858( 10): 2498-2511.[citado 2025 nov. 27 ] Available from: http://www.sciencedirect.com/science/article/pii/S0005273616301171

    • Vancouver

      Siani P, Souza RM de, Khandelia H, Itri R, Dias LG. An overview of molecular dynamics simulations of oxidized lipid systems, with a comparison of ELBA and MARTINI force fields for coarse grained lipid simulations [Internet]. Biochimica et Biophysica Acta (BBA) - Biomembranes. 2016 ; 1858( 10): 2498-2511.[citado 2025 nov. 27 ] Available from: http://www.sciencedirect.com/science/article/pii/S0005273616301171
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