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Filtros : "Journal of Chemical Information and Modeling" "FCFRP" Limpar

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  • Artigo de periodico

    How the strain origin of Zika Virus NS1 protein impacts its dynamics and implications to their differential virulence (2021)

    Poveda Cuevas, Sergio Alejandro; Silva, Fernando Luís Barroso da ; Etchebest, Catherine

    Fonte: Journal of Chemical Information and Modeling. Unidades: FCFRP, Interunidades em Bioinformática

    Assuntos: ZIKA VÍRUS, VIRULÊNCIA, FLAVIVIRUS

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    • ABNT

      POVEDA CUEVAS, Sergio Alejandro e SILVA, Fernando Luís Barroso da e ETCHEBEST, Catherine. How the strain origin of Zika Virus NS1 protein impacts its dynamics and implications to their differential virulence. Journal of Chemical Information and Modeling, v. 61, n. 3, p. 1516-1530, 2021Tradução . . Disponível em: https://doi.org/10.1021/acs.jcim.0c01377. Acesso em: 11 nov. 2025.

    • APA

      Poveda Cuevas, S. A., Silva, F. L. B. da, & Etchebest, C. (2021). How the strain origin of Zika Virus NS1 protein impacts its dynamics and implications to their differential virulence. Journal of Chemical Information and Modeling, 61( 3), 1516-1530. doi:10.1021/acs.jcim.0c01377

    • NLM

      Poveda Cuevas SA, Silva FLB da, Etchebest C. How the strain origin of Zika Virus NS1 protein impacts its dynamics and implications to their differential virulence [Internet]. Journal of Chemical Information and Modeling. 2021 ; 61( 3): 1516-1530.[citado 2025 nov. 11 ] Available from: https://doi.org/10.1021/acs.jcim.0c01377

    • Vancouver

      Poveda Cuevas SA, Silva FLB da, Etchebest C. How the strain origin of Zika Virus NS1 protein impacts its dynamics and implications to their differential virulence [Internet]. Journal of Chemical Information and Modeling. 2021 ; 61( 3): 1516-1530.[citado 2025 nov. 11 ] Available from: https://doi.org/10.1021/acs.jcim.0c01377

  • Artigo de periodico

    The SistematX web portal of natural products: an update (2021)

    Costa, Renan P. O.; Lucena, Lucas F.; Silva, Lorena Mara A.; Zocolo, Guilherme Julião; Herrera-Acevedo, Chonny; Scotti, Luciana; Costa, Fernando Batista da ; Ionov, Nikita; Poroikov, Vladimir; Muratov, Eugene N.; Scotti, Marcus T.

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

    Assuntos: PRODUTOS NATURAIS, METABÓLITOS SECUNDÁRIOS, FÁRMACOS, BANCO DE DADOS

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      COSTA, Renan P. O. et al. The SistematX web portal of natural products: an update. Journal of Chemical Information and Modeling, v. 61, n. 6, p. 2516-2522, 2021Tradução . . Disponível em: https://doi.org/10.1021/acs.jcim.1c00083. Acesso em: 11 nov. 2025.

    • APA

      Costa, R. P. O., Lucena, L. F., Silva, L. M. A., Zocolo, G. J., Herrera-Acevedo, C., Scotti, L., et al. (2021). The SistematX web portal of natural products: an update. Journal of Chemical Information and Modeling, 61( 6), 2516-2522. doi:10.1021/acs.jcim.1c00083

    • NLM

      Costa RPO, Lucena LF, Silva LMA, Zocolo GJ, Herrera-Acevedo C, Scotti L, Costa FB da, Ionov N, Poroikov V, Muratov EN, Scotti MT. The SistematX web portal of natural products: an update [Internet]. Journal of Chemical Information and Modeling. 2021 ; 61( 6): 2516-2522.[citado 2025 nov. 11 ] Available from: https://doi.org/10.1021/acs.jcim.1c00083

    • Vancouver

      Costa RPO, Lucena LF, Silva LMA, Zocolo GJ, Herrera-Acevedo C, Scotti L, Costa FB da, Ionov N, Poroikov V, Muratov EN, Scotti MT. The SistematX web portal of natural products: an update [Internet]. Journal of Chemical Information and Modeling. 2021 ; 61( 6): 2516-2522.[citado 2025 nov. 11 ] Available from: https://doi.org/10.1021/acs.jcim.1c00083

  • Artigo de periodico

    Making soup: preparing and validating models of the bacterial cytoplasm for molecular simulation (2020)

    Bortot, Leandro Oliveira; Bashardanesh, Zahedeh; van der Spoel, David

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

    Assuntos: CITOPLASMA, RNA, ESCHERICHIA COLI

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      BORTOT, Leandro Oliveira e BASHARDANESH, Zahedeh e VAN DER SPOEL, David. Making soup: preparing and validating models of the bacterial cytoplasm for molecular simulation. Journal of Chemical Information and Modeling, v. 60, n. 1, p. 322-331, 2020Tradução . . Disponível em: https://doi.org/10.1021/acs.jcim.9b00971. Acesso em: 11 nov. 2025.

    • APA

      Bortot, L. O., Bashardanesh, Z., & van der Spoel, D. (2020). Making soup: preparing and validating models of the bacterial cytoplasm for molecular simulation. Journal of Chemical Information and Modeling, 60( 1), 322-331. doi:10.1021/acs.jcim.9b00971

    • NLM

      Bortot LO, Bashardanesh Z, van der Spoel D. Making soup: preparing and validating models of the bacterial cytoplasm for molecular simulation [Internet]. Journal of Chemical Information and Modeling. 2020 ;60( 1): 322-331.[citado 2025 nov. 11 ] Available from: https://doi.org/10.1021/acs.jcim.9b00971

    • Vancouver

      Bortot LO, Bashardanesh Z, van der Spoel D. Making soup: preparing and validating models of the bacterial cytoplasm for molecular simulation [Internet]. Journal of Chemical Information and Modeling. 2020 ;60( 1): 322-331.[citado 2025 nov. 11 ] Available from: https://doi.org/10.1021/acs.jcim.9b00971

  • Artigo de periodico

    Combined experimental and molecular simulation study of insulin–chitosan complexation driven by electrostatic interactions (2020)

    Prudkin-Silva, Cecilia; Pérez, Oscar E.; Martínez, Karina D.; Silva, Fernando Luís Barroso da

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

    Assuntos: BIOMATERIAIS, MÉTODO DE MONTE CARLO, INSULINA, QUITOSANA, ELETROSTÁTICA, MACROMOLÉCULA

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      PRUDKIN-SILVA, Cecilia et al. Combined experimental and molecular simulation study of insulin–chitosan complexation driven by electrostatic interactions. Journal of Chemical Information and Modeling, v. 60, n. 2, p. 854-865, 2020Tradução . . Disponível em: https://doi.org/10.1021/acs.jcim.9b00814. Acesso em: 11 nov. 2025.

    • APA

      Prudkin-Silva, C., Pérez, O. E., Martínez, K. D., & Silva, F. L. B. da. (2020). Combined experimental and molecular simulation study of insulin–chitosan complexation driven by electrostatic interactions. Journal of Chemical Information and Modeling, 60( 2), 854-865. doi:10.1021/acs.jcim.9b00814

    • NLM

      Prudkin-Silva C, Pérez OE, Martínez KD, Silva FLB da. Combined experimental and molecular simulation study of insulin–chitosan complexation driven by electrostatic interactions [Internet]. Journal of Chemical Information and Modeling. 2020 ; 60( 2): 854-865.[citado 2025 nov. 11 ] Available from: https://doi.org/10.1021/acs.jcim.9b00814

    • Vancouver

      Prudkin-Silva C, Pérez OE, Martínez KD, Silva FLB da. Combined experimental and molecular simulation study of insulin–chitosan complexation driven by electrostatic interactions [Internet]. Journal of Chemical Information and Modeling. 2020 ; 60( 2): 854-865.[citado 2025 nov. 11 ] Available from: https://doi.org/10.1021/acs.jcim.9b00814

  • Artigo de periodico

    Identification of electrostatic epitopes in flavivirus by computer simulations: the PROCEEDpKa method (2019)

    Poveda Cuevas, Sergio Alejandro; Etchebest, Catherine; Silva, Fernando Luís Barroso da

    Fonte: Journal of Chemical Information and Modeling. Unidades: Interunidades em Bioinformática, FCFRP

    Assuntos: ANTÍGENOS, IMUNOLOGIA, FLAVIVIRUS

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      POVEDA CUEVAS, Sergio Alejandro e ETCHEBEST, Catherine e SILVA, Fernando Luís Barroso da. Identification of electrostatic epitopes in flavivirus by computer simulations: the PROCEEDpKa method. Journal of Chemical Information and Modeling, v. 60, n. 2, p. 944-963, 2019Tradução . . Disponível em: https://doi.org/10.1021/acs.jcim.9b00895. Acesso em: 11 nov. 2025.

    • APA

      Poveda Cuevas, S. A., Etchebest, C., & Silva, F. L. B. da. (2019). Identification of electrostatic epitopes in flavivirus by computer simulations: the PROCEEDpKa method. Journal of Chemical Information and Modeling, 60( 2), 944-963. doi:10.1021/acs.jcim.9b00895

    • NLM

      Poveda Cuevas SA, Etchebest C, Silva FLB da. Identification of electrostatic epitopes in flavivirus by computer simulations: the PROCEEDpKa method [Internet]. Journal of Chemical Information and Modeling. 2019 ; 60( 2): 944-963.[citado 2025 nov. 11 ] Available from: https://doi.org/10.1021/acs.jcim.9b00895

    • Vancouver

      Poveda Cuevas SA, Etchebest C, Silva FLB da. Identification of electrostatic epitopes in flavivirus by computer simulations: the PROCEEDpKa method [Internet]. Journal of Chemical Information and Modeling. 2019 ; 60( 2): 944-963.[citado 2025 nov. 11 ] Available from: https://doi.org/10.1021/acs.jcim.9b00895

  • Artigo de periodico

    Experimental–computational study of carbon nanotube effects on mitochondrial respiration: in silico nano-QSPR machine learning models based on new raman spectra transform with markov–shannon entropy invariants (2017)

    González-Durruthy, Michael; Alberici, Luciane C.; Curti, Carlos; Naal, Zeki; Sawazaki, David Tatsuo A; Vázquez-Naya, José M.; González-Díaz, Humberto; Munteanu, Cristian R.

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

    Assuntos: ENTROPIA, REGRESSÃO LINEAR, MITOCÔNDRIAS, NANOTUBOS DE CARBONO, BIOMEDICINA, OXIGÊNIO

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      GONZÁLEZ-DURRUTHY, Michael et al. Experimental–computational study of carbon nanotube effects on mitochondrial respiration: in silico nano-QSPR machine learning models based on new raman spectra transform with markov–shannon entropy invariants. Journal of Chemical Information and Modeling, v. 57, n. 5, p. 1029-1044, 2017Tradução . . Disponível em: https://doi.org/10.1021/acs.jcim.6b00458. Acesso em: 11 nov. 2025.

    • APA

      González-Durruthy, M., Alberici, L. C., Curti, C., Naal, Z., Sawazaki, D. T. A., Vázquez-Naya, J. M., et al. (2017). Experimental–computational study of carbon nanotube effects on mitochondrial respiration: in silico nano-QSPR machine learning models based on new raman spectra transform with markov–shannon entropy invariants. Journal of Chemical Information and Modeling, 57( 5), 1029-1044. doi:10.1021/acs.jcim.6b00458

    • NLM

      González-Durruthy M, Alberici LC, Curti C, Naal Z, Sawazaki DTA, Vázquez-Naya JM, González-Díaz H, Munteanu CR. Experimental–computational study of carbon nanotube effects on mitochondrial respiration: in silico nano-QSPR machine learning models based on new raman spectra transform with markov–shannon entropy invariants [Internet]. Journal of Chemical Information and Modeling. 2017 ; 57( 5): 1029-1044.[citado 2025 nov. 11 ] Available from: https://doi.org/10.1021/acs.jcim.6b00458

    • Vancouver

      González-Durruthy M, Alberici LC, Curti C, Naal Z, Sawazaki DTA, Vázquez-Naya JM, González-Díaz H, Munteanu CR. Experimental–computational study of carbon nanotube effects on mitochondrial respiration: in silico nano-QSPR machine learning models based on new raman spectra transform with markov–shannon entropy invariants [Internet]. Journal of Chemical Information and Modeling. 2017 ; 57( 5): 1029-1044.[citado 2025 nov. 11 ] Available from: https://doi.org/10.1021/acs.jcim.6b00458

  • Artigo de periodico

    Study of chromatographic retention of natural terpenoids by chemoinformatic tools (2015)

    Oliveira, Tiago B.; Gobbo Neto, Leonardo; Schmidt, Thomas J.; Costa, Fernando Batista da

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

    Assuntos: CROMATOGRAFIA, SESQUITERPENOS, PRODUTOS NATURAIS

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      OLIVEIRA, Tiago B. et al. Study of chromatographic retention of natural terpenoids by chemoinformatic tools. Journal of Chemical Information and Modeling, v. 55, n. 1, p. 26-38, 2015Tradução . . Disponível em: https://doi.org/10.1021/ci500581q. Acesso em: 11 nov. 2025.

    • APA

      Oliveira, T. B., Gobbo Neto, L., Schmidt, T. J., & Costa, F. B. da. (2015). Study of chromatographic retention of natural terpenoids by chemoinformatic tools. Journal of Chemical Information and Modeling, 55( 1), 26-38. doi:10.1021/ci500581q

    • NLM

      Oliveira TB, Gobbo Neto L, Schmidt TJ, Costa FB da. Study of chromatographic retention of natural terpenoids by chemoinformatic tools [Internet]. Journal of Chemical Information and Modeling. 2015 ; 55( 1): 26-38.[citado 2025 nov. 11 ] Available from: https://doi.org/10.1021/ci500581q

    • Vancouver

      Oliveira TB, Gobbo Neto L, Schmidt TJ, Costa FB da. Study of chromatographic retention of natural terpenoids by chemoinformatic tools [Internet]. Journal of Chemical Information and Modeling. 2015 ; 55( 1): 26-38.[citado 2025 nov. 11 ] Available from: https://doi.org/10.1021/ci500581q

  • Artigo de periodico

    Multilabeled classification approach to find a plant source for terpenoids (2008)

    Hristozov, Dimitar; Gasteiger, Johann; Costa, Fernando Batista da

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

    Assuntos: COMPOSITAE, FARMACOGNOSIA

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      HRISTOZOV, Dimitar e GASTEIGER, Johann e COSTA, Fernando Batista da. Multilabeled classification approach to find a plant source for terpenoids. Journal of Chemical Information and Modeling, v. 48, n. 1, p. 56-67, 2008Tradução . . Acesso em: 11 nov. 2025.

    • APA

      Hristozov, D., Gasteiger, J., & Costa, F. B. da. (2008). Multilabeled classification approach to find a plant source for terpenoids. Journal of Chemical Information and Modeling, 48( 1), 56-67.

    • NLM

      Hristozov D, Gasteiger J, Costa FB da. Multilabeled classification approach to find a plant source for terpenoids. Journal of Chemical Information and Modeling. 2008 ; 48( 1): 56-67.[citado 2025 nov. 11 ]

    • Vancouver

      Hristozov D, Gasteiger J, Costa FB da. Multilabeled classification approach to find a plant source for terpenoids. Journal of Chemical Information and Modeling. 2008 ; 48( 1): 56-67.[citado 2025 nov. 11 ]

  • Artigo de periodico

    Sesquiterpene lactones-based classification of the family Asteraceae using neural networks and 'capa'-nearest neighbors (2007)

    Hristozov, Dimitar; Costa, Fernando Batista da; Gasteiger, Johann

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

    Assuntos: PLANTAS, SESQUITERPENOS, COMPOSITAE

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    • ABNT

      HRISTOZOV, Dimitar e COSTA, Fernando Batista da e GASTEIGER, Johann. Sesquiterpene lactones-based classification of the family Asteraceae using neural networks and 'capa'-nearest neighbors. Journal of Chemical Information and Modeling, v. 47, n. 1, p. 9-19, 2007Tradução . . Acesso em: 11 nov. 2025.

    • APA

      Hristozov, D., Costa, F. B. da, & Gasteiger, J. (2007). Sesquiterpene lactones-based classification of the family Asteraceae using neural networks and 'capa'-nearest neighbors. Journal of Chemical Information and Modeling, 47( 1), 9-19.

    • NLM

      Hristozov D, Costa FB da, Gasteiger J. Sesquiterpene lactones-based classification of the family Asteraceae using neural networks and 'capa'-nearest neighbors. Journal of Chemical Information and Modeling. 2007 ; 47( 1): 9-19.[citado 2025 nov. 11 ]

    • Vancouver

      Hristozov D, Costa FB da, Gasteiger J. Sesquiterpene lactones-based classification of the family Asteraceae using neural networks and 'capa'-nearest neighbors. Journal of Chemical Information and Modeling. 2007 ; 47( 1): 9-19.[citado 2025 nov. 11 ]
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