Filters : "Journal of Molecular Modeling" Limpar

Filters



Refine with date range


  • In: Journal of Molecular Modeling. Unidade: IQSC

    Subjects: Fármacos, Antifúngicos, Micoses

    Online source accessDOIHow to cite
    A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
    • ABNT

      BUENO, Paulo Sérgio Alves; FRANCIELE ABIGAIL VILUGRON RODRIGUES,; SANTOS, Jessyka Lima; et al. New inhibitors of homoserine dehydrogenase from Paracoccidioides brasiliensis presenting antifungal activity. Journal of Molecular Modeling, Heidelberg, v. 25, p. 325, 2019. Disponível em: < https://doi.org/10.1007/s00894-019-4221-2 > DOI: 10.1007/s00894-019-4221-2.
    • APA

      Bueno, P. S. A., Franciele Abigail Vilugron Rodrigues,, Santos, J. L., Canduri, F., Biavatti, D. C., Pimentel, A. L., et al. (2019). New inhibitors of homoserine dehydrogenase from Paracoccidioides brasiliensis presenting antifungal activity. Journal of Molecular Modeling, 25, 325. doi:10.1007/s00894-019-4221-2
    • NLM

      Bueno PSA, Franciele Abigail Vilugron Rodrigues, Santos JL, Canduri F, Biavatti DC, Pimentel AL, Bagatin MC, Kioshima ÉS, Gauze G de F, Seixas FAV. New inhibitors of homoserine dehydrogenase from Paracoccidioides brasiliensis presenting antifungal activity [Internet]. Journal of Molecular Modeling. 2019 ; 25 325.Available from: https://doi.org/10.1007/s00894-019-4221-2
    • Vancouver

      Bueno PSA, Franciele Abigail Vilugron Rodrigues, Santos JL, Canduri F, Biavatti DC, Pimentel AL, Bagatin MC, Kioshima ÉS, Gauze G de F, Seixas FAV. New inhibitors of homoserine dehydrogenase from Paracoccidioides brasiliensis presenting antifungal activity [Internet]. Journal of Molecular Modeling. 2019 ; 25 325.Available from: https://doi.org/10.1007/s00894-019-4221-2
  • In: Journal of Molecular Modeling. Unidades: IQ, IF

    Subjects: Porfirinas, Espectroscopia Ultravioleta

    PrivateOnline source accessDOIHow to cite
    A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
    • ABNT

      SUAREZ, Eduardo Diaz; LIMA, Filipe Camargo Dalmatti Alves de; DIAS, Patrícia Moura; CONSTANTINO, Vera Regina Leopoldo; PETRILLI, Helena Maria. Theoretical UV-Vis spectra of tetracationic porphyrin: effects of environment on electronic spectral properties. Journal of Molecular Modeling, New York, v. 25, n. 9, p. 1-10, 2019. Disponível em: < http://dx.doi.org/10.1007/s00894-019-4149-6 > DOI: 10.1007/s00894-019-4149-6.
    • APA

      Suarez, E. D., Lima, F. C. D. A. de, Dias, P. M., Constantino, V. R. L., & Petrilli, H. M. (2019). Theoretical UV-Vis spectra of tetracationic porphyrin: effects of environment on electronic spectral properties. Journal of Molecular Modeling, 25( 9), 1-10. doi:10.1007/s00894-019-4149-6
    • NLM

      Suarez ED, Lima FCDA de, Dias PM, Constantino VRL, Petrilli HM. Theoretical UV-Vis spectra of tetracationic porphyrin: effects of environment on electronic spectral properties [Internet]. Journal of Molecular Modeling. 2019 ; 25( 9): 1-10.Available from: http://dx.doi.org/10.1007/s00894-019-4149-6
    • Vancouver

      Suarez ED, Lima FCDA de, Dias PM, Constantino VRL, Petrilli HM. Theoretical UV-Vis spectra of tetracationic porphyrin: effects of environment on electronic spectral properties [Internet]. Journal of Molecular Modeling. 2019 ; 25( 9): 1-10.Available from: http://dx.doi.org/10.1007/s00894-019-4149-6
  • In: Journal of Molecular Modeling. Unidade: IQSC

    Subjects: Fármacos

    Online source accessDOIHow to cite
    A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
    • ABNT

      BORGES, Nádia Melo; SARTORI, Geraldo Rodrigues; RIBEIRO, Jean Francisco Rosa; et al. Similarity search combined with docking and molecular dynamics for novel hAChE inhibitor scaffolds. Journal of Molecular Modeling, Heidelberg, v. 24, n. 1, p. 4 , 2018. Disponível em: < https://doi.org/10.1007/s00894-017-3548-9 > DOI: 10.1007/s00894-017-3548-9.
    • APA

      Borges, N. M., Sartori, G. R., Ribeiro, J. F. R., Rocha, J. R. da, Martins, J. B. L., Montanari, C. A., & Gargano, R. (2018). Similarity search combined with docking and molecular dynamics for novel hAChE inhibitor scaffolds. Journal of Molecular Modeling, 24( 1), 4 . doi:10.1007/s00894-017-3548-9
    • NLM

      Borges NM, Sartori GR, Ribeiro JFR, Rocha JR da, Martins JBL, Montanari CA, Gargano R. Similarity search combined with docking and molecular dynamics for novel hAChE inhibitor scaffolds [Internet]. Journal of Molecular Modeling. 2018 ; 24( 1): 4 .Available from: https://doi.org/10.1007/s00894-017-3548-9
    • Vancouver

      Borges NM, Sartori GR, Ribeiro JFR, Rocha JR da, Martins JBL, Montanari CA, Gargano R. Similarity search combined with docking and molecular dynamics for novel hAChE inhibitor scaffolds [Internet]. Journal of Molecular Modeling. 2018 ; 24( 1): 4 .Available from: https://doi.org/10.1007/s00894-017-3548-9
  • In: Journal of Molecular Modeling. Unidades: FMRP, FCFRP

    Subjects: Anti-inflamatórios, Farmacocinética

    Online source accessDOIHow to cite
    A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
    • ABNT

      CRUZ, Josiane Viana; SERAFIM, Rodolfo Bortolozo; SILVA, Gabriel Monteiro da; et al. Computational design of new protein kinase 2 inhibitors for the treatment of inflammatory diseases using QSAR, pharmacophore-structure-based virtual screening, and molecular dynamics. Journal of Molecular Modeling, Heidelberg, v. 24, n. 9, 2018. Disponível em: < http://dx.doi.org/10.1007/s00894-018-3756-y > DOI: 10.1007/s00894-018-3756-y.
    • APA

      Cruz, J. V., Serafim, R. B., Silva, G. M. da, Giuliatti, S., Rosa, J. M. C., Araújo Neto, M. F., et al. (2018). Computational design of new protein kinase 2 inhibitors for the treatment of inflammatory diseases using QSAR, pharmacophore-structure-based virtual screening, and molecular dynamics. Journal of Molecular Modeling, 24( 9). doi:10.1007/s00894-018-3756-y
    • NLM

      Cruz JV, Serafim RB, Silva GM da, Giuliatti S, Rosa JMC, Araújo Neto MF, Leite FHA, Taft CA, Silva CHT de P da, Santos CBR. Computational design of new protein kinase 2 inhibitors for the treatment of inflammatory diseases using QSAR, pharmacophore-structure-based virtual screening, and molecular dynamics [Internet]. Journal of Molecular Modeling. 2018 ; 24( 9):Available from: http://dx.doi.org/10.1007/s00894-018-3756-y
    • Vancouver

      Cruz JV, Serafim RB, Silva GM da, Giuliatti S, Rosa JMC, Araújo Neto MF, Leite FHA, Taft CA, Silva CHT de P da, Santos CBR. Computational design of new protein kinase 2 inhibitors for the treatment of inflammatory diseases using QSAR, pharmacophore-structure-based virtual screening, and molecular dynamics [Internet]. Journal of Molecular Modeling. 2018 ; 24( 9):Available from: http://dx.doi.org/10.1007/s00894-018-3756-y
  • In: Journal of Molecular Modeling. Unidade: IF

    Subjects: Estrutura Eletrônica, Eletrostática, Nucleosídeos, Clusters

    DOIHow to cite
    A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
    • ABNT

      LACERDA JR., Evanildo G.; SAUER, Stephan P. A.; MIKKELSEN, Kurt V.; CANUTO, Sylvio Roberto Accioly; COUTINHO, Kaline Rabelo. Theoretical study of the NMR chemical shift of 'XE' in supercritical condition. Journal of Molecular Modeling, New York, v. 24, n. 3, p. 62, 2018. DOI: 10.1007/s00894-018-3600-4.
    • APA

      Lacerda Jr., E. G., Sauer, S. P. A., Mikkelsen, K. V., Canuto, S. R. A., & Coutinho, K. R. (2018). Theoretical study of the NMR chemical shift of 'XE' in supercritical condition. Journal of Molecular Modeling, 24( 3), 62. doi:10.1007/s00894-018-3600-4
    • NLM

      Lacerda Jr. EG, Sauer SPA, Mikkelsen KV, Canuto SRA, Coutinho KR. Theoretical study of the NMR chemical shift of 'XE' in supercritical condition. Journal of Molecular Modeling. 2018 ; 24( 3): 62.
    • Vancouver

      Lacerda Jr. EG, Sauer SPA, Mikkelsen KV, Canuto SRA, Coutinho KR. Theoretical study of the NMR chemical shift of 'XE' in supercritical condition. Journal of Molecular Modeling. 2018 ; 24( 3): 62.
  • In: Journal of Molecular Modeling. Unidades: EACH, ICMC, IQSC

    Subjects: Farmacologia Molecular, Receptores, Modelos (análise Multivariada), Redes Neurais

    Online source accessDOIHow to cite
    A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
    • ABNT

      OLIVEIRA, Aline A; LIPINSKI, Célio F; PEREIRA, Estevão B; et al. New consensus multivariate models based on PLS and ANN studies of sigma-1 receptor antagonists. Journal of Molecular Modeling, New York, Springer, v. 23, p. 1-15, 2017. Disponível em: < http://dx.doi.org/10.1007/s00894-017-3444-3 > DOI: 10.1007/s00894-017-3444-3.
    • APA

      Oliveira, A. A., Lipinski, C. F., Pereira, E. B., Honório, K. M., Oliveira, P. R., Weber, K. C., et al. (2017). New consensus multivariate models based on PLS and ANN studies of sigma-1 receptor antagonists. Journal of Molecular Modeling, 23, 1-15. doi:10.1007/s00894-017-3444-3
    • NLM

      Oliveira AA, Lipinski CF, Pereira EB, Honório KM, Oliveira PR, Weber KC, Romero RAF, Sousa AG de, Silva ABF da. New consensus multivariate models based on PLS and ANN studies of sigma-1 receptor antagonists [Internet]. Journal of Molecular Modeling. 2017 ; 23 1-15.Available from: http://dx.doi.org/10.1007/s00894-017-3444-3
    • Vancouver

      Oliveira AA, Lipinski CF, Pereira EB, Honório KM, Oliveira PR, Weber KC, Romero RAF, Sousa AG de, Silva ABF da. New consensus multivariate models based on PLS and ANN studies of sigma-1 receptor antagonists [Internet]. Journal of Molecular Modeling. 2017 ; 23 1-15.Available from: http://dx.doi.org/10.1007/s00894-017-3444-3
  • In: Journal of Molecular Modeling. Unidades: EACH, FCF

    Subjects: Modelagem Molecular, Espectroscopia Ultravioleta

    Online source accessDOIHow to cite
    A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
    • ABNT

      GARCIA, Ricardo D'A; MALTAROLLO, Vinícius Gonçalves; HONÓRIO, Kathia Maria; TROSSINI, Gustavo Henrique Goulart. Benchmark studies of UV-vis spectra simulation for cinnamates with UV filter profile. Journal of Molecular Modeling, New York, v. 21, p. 1-13 art. 150, 2015. Disponível em: < http://dx.doi.org/10.1007/s00894-015-2689-y > DOI: 10.1007/s00894-015-2689-y.
    • APA

      Garcia, R. D. 'A., Maltarollo, V. G., Honório, K. M., & Trossini, G. H. G. (2015). Benchmark studies of UV-vis spectra simulation for cinnamates with UV filter profile. Journal of Molecular Modeling, 21, 1-13 art. 150. doi:10.1007/s00894-015-2689-y
    • NLM

      Garcia RD'A, Maltarollo VG, Honório KM, Trossini GHG. Benchmark studies of UV-vis spectra simulation for cinnamates with UV filter profile [Internet]. Journal of Molecular Modeling. 2015 ; 21 1-13 art. 150.Available from: http://dx.doi.org/10.1007/s00894-015-2689-y
    • Vancouver

      Garcia RD'A, Maltarollo VG, Honório KM, Trossini GHG. Benchmark studies of UV-vis spectra simulation for cinnamates with UV filter profile [Internet]. Journal of Molecular Modeling. 2015 ; 21 1-13 art. 150.Available from: http://dx.doi.org/10.1007/s00894-015-2689-y
  • In: Journal of Molecular Modeling. Unidades: FCF, EACH

    Subjects: Modelagem Molecular, Cosméticos, Filtro Solar, Tautomeria

    Online source accessDOIHow to cite
    A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
    • ABNT

      TROSSINI, Gustavo Henrique Goulart; MALTAROLLO, Vinícius Gonçalves; GARCIA, Ricardo D’A; et al. Theoretical study of tautomers and photoisomers of avobenzone by DFT methods. Journal of Molecular Modeling, Heidelberg, v. 21, n. 12, p. 1-7, 2015. Disponível em: < http://dx.doi.org/10.1007/s00894-015-2863-2 > DOI: 10.1007/s00894-015-2863-2.
    • APA

      Trossini, G. H. G., Maltarollo, V. G., Garcia, R. D. ’A., Pinto, C. A. S. de O., Velasco, M. V. R., Honório, K. M., & Baby, A. R. (2015). Theoretical study of tautomers and photoisomers of avobenzone by DFT methods. Journal of Molecular Modeling, 21( 12), 1-7. doi:10.1007/s00894-015-2863-2
    • NLM

      Trossini GHG, Maltarollo VG, Garcia RD’A, Pinto CAS de O, Velasco MVR, Honório KM, Baby AR. Theoretical study of tautomers and photoisomers of avobenzone by DFT methods [Internet]. Journal of Molecular Modeling. 2015 ; 21( 12): 1-7.Available from: http://dx.doi.org/10.1007/s00894-015-2863-2
    • Vancouver

      Trossini GHG, Maltarollo VG, Garcia RD’A, Pinto CAS de O, Velasco MVR, Honório KM, Baby AR. Theoretical study of tautomers and photoisomers of avobenzone by DFT methods [Internet]. Journal of Molecular Modeling. 2015 ; 21( 12): 1-7.Available from: http://dx.doi.org/10.1007/s00894-015-2863-2
  • In: Journal of Molecular Modeling. Unidade: IQ

    Subjects: Compostos Orgânicos

    Online source accessDOIHow to cite
    A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
    • ABNT

      PEREIRA, Douglas Henrique; DUCATI, Lucas Colucci; RITTNER, Roberto; CUSTÓDIO, Rogério. A study of the rotational barriers for some organic compounds using the G3 and G3CEP theories. Journal of Molecular Modeling, New York, v. 20, p. 1-14 : + Supplementary materials ( S1-S67), 2014. Disponível em: < http://dx.doi.org/10.1007/s00894-014-2199-3 > DOI: 10.1007/s00894-014-2199-3.
    • APA

      Pereira, D. H., Ducati, L. C., Rittner, R., & Custódio, R. (2014). A study of the rotational barriers for some organic compounds using the G3 and G3CEP theories. Journal of Molecular Modeling, 20, 1-14 : + Supplementary materials ( S1-S67). doi:10.1007/s00894-014-2199-3
    • NLM

      Pereira DH, Ducati LC, Rittner R, Custódio R. A study of the rotational barriers for some organic compounds using the G3 and G3CEP theories [Internet]. Journal of Molecular Modeling. 2014 ; 20 1-14 : + Supplementary materials ( S1-S67).Available from: http://dx.doi.org/10.1007/s00894-014-2199-3
    • Vancouver

      Pereira DH, Ducati LC, Rittner R, Custódio R. A study of the rotational barriers for some organic compounds using the G3 and G3CEP theories [Internet]. Journal of Molecular Modeling. 2014 ; 20 1-14 : + Supplementary materials ( S1-S67).Available from: http://dx.doi.org/10.1007/s00894-014-2199-3
  • In: Journal of Molecular Modeling. Unidade: EACH

    Subjects: Modelagem Molecular, Planejamento De Fármacos, Relações Estrutura-atividade, Biofísica, Angiotensina Ii, Doenças Cardiovasculares, Biofísica

    Online source accessDOIHow to cite
    A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
    • ABNT

      SILVA, Danielle da Costa; MALTAROLLO, Vinícius Gonçalves; LIMA, Emmanuela Ferreira de; WEBER, Karen Cacilda; HONÓRIO, Kathia Maria. Understanding electrostatic and steric requirements related to hypertensive action of AT1 antagonists using molecular modeling techniques. Journal of Molecular Modeling, Heidelberg, Germany, v. 20, n. 7, p. 2231, 2014. Disponível em: < > DOI: 10.1007/s00894-014-2231-7.
    • APA

      Silva, D. da C., Maltarollo, V. G., Lima, E. F. de, Weber, K. C., & Honório, K. M. (2014). Understanding electrostatic and steric requirements related to hypertensive action of AT1 antagonists using molecular modeling techniques. Journal of Molecular Modeling, 20( 7), 2231. doi:10.1007/s00894-014-2231-7
    • NLM

      Silva D da C, Maltarollo VG, Lima EF de, Weber KC, Honório KM. Understanding electrostatic and steric requirements related to hypertensive action of AT1 antagonists using molecular modeling techniques [Internet]. Journal of Molecular Modeling. 2014 ; 20( 7): 2231.Available from:
    • Vancouver

      Silva D da C, Maltarollo VG, Lima EF de, Weber KC, Honório KM. Understanding electrostatic and steric requirements related to hypertensive action of AT1 antagonists using molecular modeling techniques [Internet]. Journal of Molecular Modeling. 2014 ; 20( 7): 2231.Available from:
  • In: Journal of Molecular Modeling. Unidade: IQSC

    Subjects: Modelagem Molecular, Química

    Online source accessDOIHow to cite
    A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
    • ABNT

      VIANNA, Rommel B; SILVA, Alberico Borges Ferreira da. The CH3PH2 and CH3PH isomers: isomerization, hydrogen release, thermodynamic, and spectroscopy properties. Journal of Molecular Modeling, New York, v. 20, n. 8, p. 2372--2378, 2014. Disponível em: < http://dx.doi.org/10.1007/s00894-014-2372-8 > DOI: 10.1007/s00894-014-2372-8.
    • APA

      Vianna, R. B., & Silva, A. B. F. da. (2014). The CH3PH2 and CH3PH isomers: isomerization, hydrogen release, thermodynamic, and spectroscopy properties. Journal of Molecular Modeling, 20( 8), 2372--2378. doi:10.1007/s00894-014-2372-8
    • NLM

      Vianna RB, Silva ABF da. The CH3PH2 and CH3PH isomers: isomerization, hydrogen release, thermodynamic, and spectroscopy properties [Internet]. Journal of Molecular Modeling. 2014 ; 20( 8): 2372--2378.Available from: http://dx.doi.org/10.1007/s00894-014-2372-8
    • Vancouver

      Vianna RB, Silva ABF da. The CH3PH2 and CH3PH isomers: isomerization, hydrogen release, thermodynamic, and spectroscopy properties [Internet]. Journal of Molecular Modeling. 2014 ; 20( 8): 2372--2378.Available from: http://dx.doi.org/10.1007/s00894-014-2372-8
  • In: Journal of Molecular Modeling. Unidade: IQSC

    Subjects: Modelagem Molecular, Química

    Online source accessDOIHow to cite
    A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
    • ABNT

      SILVA, Adilson Luís Pereira; ALMEIDA, Luciano Farias de; MARQUES, Aldalea Lopes Brandes; et al. Quantum chemical DFT study of the interaction between molecular oxygen and FeN4 complexes, and effect of the macrocyclic ligand. Journal of Molecular Modeling, New York, v. 20, n. 3, p. 2131, 2014. Disponível em: < http://dx.doi.org/10.1007/s00894-014-2131-x > DOI: 10.1007/s00894-014-2131-x.
    • APA

      Silva, A. L. P., Almeida, L. F. de, Marques, A. L. B., Costa, H. R., Tanaka, A. A., Silva, A. B. F. da, & Varela Junior, J. de J. G. (2014). Quantum chemical DFT study of the interaction between molecular oxygen and FeN4 complexes, and effect of the macrocyclic ligand. Journal of Molecular Modeling, 20( 3), 2131. doi:10.1007/s00894-014-2131-x
    • NLM

      Silva ALP, Almeida LF de, Marques ALB, Costa HR, Tanaka AA, Silva ABF da, Varela Junior J de JG. Quantum chemical DFT study of the interaction between molecular oxygen and FeN4 complexes, and effect of the macrocyclic ligand [Internet]. Journal of Molecular Modeling. 2014 ; 20( 3): 2131.Available from: http://dx.doi.org/10.1007/s00894-014-2131-x
    • Vancouver

      Silva ALP, Almeida LF de, Marques ALB, Costa HR, Tanaka AA, Silva ABF da, Varela Junior J de JG. Quantum chemical DFT study of the interaction between molecular oxygen and FeN4 complexes, and effect of the macrocyclic ligand [Internet]. Journal of Molecular Modeling. 2014 ; 20( 3): 2131.Available from: http://dx.doi.org/10.1007/s00894-014-2131-x
  • In: Journal of Molecular Modeling. Unidade: IQSC

    Subjects: Modelagem Molecular, Química

    Online source accessDOIHow to cite
    A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
    • ABNT

      VIANNA, Rommel B; GUIMARÃES, Amanda Ribeiro; SOUZA, Aguinaldo Robinson de; SILVA, Alberico Borges Ferreira da. Molecular properties of the PCO radical: heat of formation and the isomerization pathways. Journal of Molecular Modeling, New York, v. 20, n. 2, 2014. Disponível em: < http://dx.doi.org/10.1007/s00894-014-2074-2 > DOI: 10.1007/s00894-014-2074-2.
    • APA

      Vianna, R. B., Guimarães, A. R., Souza, A. R. de, & Silva, A. B. F. da. (2014). Molecular properties of the PCO radical: heat of formation and the isomerization pathways. Journal of Molecular Modeling, 20( 2). doi:10.1007/s00894-014-2074-2
    • NLM

      Vianna RB, Guimarães AR, Souza AR de, Silva ABF da. Molecular properties of the PCO radical: heat of formation and the isomerization pathways [Internet]. Journal of Molecular Modeling. 2014 ; 20( 2):Available from: http://dx.doi.org/10.1007/s00894-014-2074-2
    • Vancouver

      Vianna RB, Guimarães AR, Souza AR de, Silva ABF da. Molecular properties of the PCO radical: heat of formation and the isomerization pathways [Internet]. Journal of Molecular Modeling. 2014 ; 20( 2):Available from: http://dx.doi.org/10.1007/s00894-014-2074-2
  • In: Journal of Molecular Modeling. Unidade: IQ

    Subjects: Estrutura Eletrônica, Ligações Químicas

    Online source accessDOIHow to cite
    A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
    • ABNT

      BORIN, Antonio Carlos; GOBBO, João Paulo. The low-lying electronic states of ReB. Journal of Molecular Modeling, New York, v. 20, n. 7, p. art. 2285 1-5, 2014. Disponível em: < http://dx.doi.org/DOI 10.1007/s00894-014-2285-6 > DOI: DOI 10.1007/s00894-014-2285-6.
    • APA

      Borin, A. C., & Gobbo, J. P. (2014). The low-lying electronic states of ReB. Journal of Molecular Modeling, 20( 7), art. 2285 1-5. doi:DOI 10.1007/s00894-014-2285-6
    • NLM

      Borin AC, Gobbo JP. The low-lying electronic states of ReB [Internet]. Journal of Molecular Modeling. 2014 ; 20( 7): art. 2285 1-5.Available from: http://dx.doi.org/DOI 10.1007/s00894-014-2285-6
    • Vancouver

      Borin AC, Gobbo JP. The low-lying electronic states of ReB [Internet]. Journal of Molecular Modeling. 2014 ; 20( 7): art. 2285 1-5.Available from: http://dx.doi.org/DOI 10.1007/s00894-014-2285-6
  • In: Journal of Molecular Modeling. Unidade: FFCLRP

    Subjects: Síndrome De Imunodeficiência Adquirida, Hiv

    Online source accessDOIHow to cite
    A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
    • ABNT

      GALEMBECK, Sergio Emanuel; BICKELHAUPT, F. Matthias; GUERRA, Célia Fonseca; GALEMBECK, Eduardo. Effects of the protonation state in the interaction of an HIV-1 reverse transcriptase (RT) amino acid, Lys101, and a non nucleoside RT inhibitor, GW420867X. Journal of Molecular Modeling, Heidelberg, v. 20, n. 7, p. 2332-1-2332-11, 2014. Disponível em: < http://dx.doi.org/10.1007/s00894-014-2332-3 > DOI: 10.1007/s00894-014-2332-3.
    • APA

      Galembeck, S. E., Bickelhaupt, F. M., Guerra, C. F., & Galembeck, E. (2014). Effects of the protonation state in the interaction of an HIV-1 reverse transcriptase (RT) amino acid, Lys101, and a non nucleoside RT inhibitor, GW420867X. Journal of Molecular Modeling, 20( 7), 2332-1-2332-11. doi:10.1007/s00894-014-2332-3
    • NLM

      Galembeck SE, Bickelhaupt FM, Guerra CF, Galembeck E. Effects of the protonation state in the interaction of an HIV-1 reverse transcriptase (RT) amino acid, Lys101, and a non nucleoside RT inhibitor, GW420867X [Internet]. Journal of Molecular Modeling. 2014 ; 20( 7): 2332-1-2332-11.Available from: http://dx.doi.org/10.1007/s00894-014-2332-3
    • Vancouver

      Galembeck SE, Bickelhaupt FM, Guerra CF, Galembeck E. Effects of the protonation state in the interaction of an HIV-1 reverse transcriptase (RT) amino acid, Lys101, and a non nucleoside RT inhibitor, GW420867X [Internet]. Journal of Molecular Modeling. 2014 ; 20( 7): 2332-1-2332-11.Available from: http://dx.doi.org/10.1007/s00894-014-2332-3
  • In: Journal of Molecular Modeling. Unidade: FMRP

    Subjects: Homologia (modelagem), Macromolécula (modelos;análise)

    Online source accessDOIHow to cite
    A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
    • ABNT

      NICOLAU JÚNIOR, Nilson; GIULIATTI, Silvana. Modeling and molecular dynamics of the intrinsically disordered e7 proteins from high- and low-risk types of human papillomavirus. Journal of Molecular Modeling, Heidelberg, v. 19, n. 9, p. 4025-4037, 2013. Disponível em: < http://dx.doi.org/10.1007/s00894-013-1915-8 > DOI: 10.1007/s00894-013-1915-8.
    • APA

      Nicolau Júnior, N., & Giuliatti, S. (2013). Modeling and molecular dynamics of the intrinsically disordered e7 proteins from high- and low-risk types of human papillomavirus. Journal of Molecular Modeling, 19( 9), 4025-4037. doi:10.1007/s00894-013-1915-8
    • NLM

      Nicolau Júnior N, Giuliatti S. Modeling and molecular dynamics of the intrinsically disordered e7 proteins from high- and low-risk types of human papillomavirus [Internet]. Journal of Molecular Modeling. 2013 ; 19( 9): 4025-4037.Available from: http://dx.doi.org/10.1007/s00894-013-1915-8
    • Vancouver

      Nicolau Júnior N, Giuliatti S. Modeling and molecular dynamics of the intrinsically disordered e7 proteins from high- and low-risk types of human papillomavirus [Internet]. Journal of Molecular Modeling. 2013 ; 19( 9): 4025-4037.Available from: http://dx.doi.org/10.1007/s00894-013-1915-8
  • In: Journal of Molecular Modeling. Unidade: IQSC

    Subjects: Modelagem Molecular, Química

    Online source accessDOIHow to cite
    A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
    • ABNT

      LIMA, Francisco Chagas Alves; VIANA, Rommel Bezerra; SILVA, Thais T. da; et al. First- and second -row transition metal oxa-aza macrocyclic complexes: a DFT study of an octahedral conformation. Journal of Molecular Modeling, New York, v. 18, n. 7, p. 3243-3253, 2012. Disponível em: < http://dx.doi.org/10.1007/s00894-011-1323-x > DOI: 10.1007/s00894-011-1323-x.
    • APA

      Lima, F. C. A., Viana, R. B., Silva, T. T. da, Wardell, S. M. S. V., Nascimento do Filho, A. P., Carneiro, J. W. M., et al. (2012). First- and second -row transition metal oxa-aza macrocyclic complexes: a DFT study of an octahedral conformation. Journal of Molecular Modeling, 18( 7), 3243-3253. doi:10.1007/s00894-011-1323-x
    • NLM

      Lima FCA, Viana RB, Silva TT da, Wardell SMSV, Nascimento do Filho AP, Carneiro JWM, Comar Júnior M, Silva ABF da. First- and second -row transition metal oxa-aza macrocyclic complexes: a DFT study of an octahedral conformation [Internet]. Journal of Molecular Modeling. 2012 ; 18( 7): 3243-3253.Available from: http://dx.doi.org/10.1007/s00894-011-1323-x
    • Vancouver

      Lima FCA, Viana RB, Silva TT da, Wardell SMSV, Nascimento do Filho AP, Carneiro JWM, Comar Júnior M, Silva ABF da. First- and second -row transition metal oxa-aza macrocyclic complexes: a DFT study of an octahedral conformation [Internet]. Journal of Molecular Modeling. 2012 ; 18( 7): 3243-3253.Available from: http://dx.doi.org/10.1007/s00894-011-1323-x
  • In: Journal of Molecular Modeling. Unidade: IQSC

    Subjects: Modelagem Molecular, Química

    Online source accessDOIHow to cite
    A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
    • ABNT

      MENDES, Anna P. S; BORGES, Rosivaldo S; CHAVES NETO, Antonio M. J.; MACEDO, Luiz Guilherme Machado de; SILVA, Alberico Borges Ferreira da. The basic antioxidant structure for flavonoid derivatives. Journal of Molecular Modeling, New York, v. 18, n. 9, p. 4073-4080, 2012. Disponível em: < http://dx.doi.org/10.1007/s00894-012-1397-0 > DOI: 10.1007/s00894-012-1397-0.
    • APA

      Mendes, A. P. S., Borges, R. S., Chaves Neto, A. M. J., Macedo, L. G. M. de, & Silva, A. B. F. da. (2012). The basic antioxidant structure for flavonoid derivatives. Journal of Molecular Modeling, 18( 9), 4073-4080. doi:10.1007/s00894-012-1397-0
    • NLM

      Mendes APS, Borges RS, Chaves Neto AMJ, Macedo LGM de, Silva ABF da. The basic antioxidant structure for flavonoid derivatives [Internet]. Journal of Molecular Modeling. 2012 ; 18( 9): 4073-4080.Available from: http://dx.doi.org/10.1007/s00894-012-1397-0
    • Vancouver

      Mendes APS, Borges RS, Chaves Neto AMJ, Macedo LGM de, Silva ABF da. The basic antioxidant structure for flavonoid derivatives [Internet]. Journal of Molecular Modeling. 2012 ; 18( 9): 4073-4080.Available from: http://dx.doi.org/10.1007/s00894-012-1397-0
  • In: Journal of Molecular Modeling. Unidade: FFCLRP

    Subjects: Proteínas (modelos;interação), Molécula (atividade), Físico-química

    Online source accessDOIHow to cite
    A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
    • ABNT

      FUZO, Carlos A.; DEGRÈVE, Léo. Effect of the thermostat in the molecular dynamics simulation on the folding of the model protein chignolin. Journal of Molecular Modeling, Heidelberg, v. 18, n. 6, p. 2785-2794, 2012. Disponível em: < http://dx.doi.org/10.1007/s00894-011-1282-2 > DOI: 10.1007/s00894-011-1282-2.
    • APA

      Fuzo, C. A., & Degrève, L. (2012). Effect of the thermostat in the molecular dynamics simulation on the folding of the model protein chignolin. Journal of Molecular Modeling, 18( 6), 2785-2794. doi:10.1007/s00894-011-1282-2
    • NLM

      Fuzo CA, Degrève L. Effect of the thermostat in the molecular dynamics simulation on the folding of the model protein chignolin [Internet]. Journal of Molecular Modeling. 2012 ; 18( 6): 2785-2794.Available from: http://dx.doi.org/10.1007/s00894-011-1282-2
    • Vancouver

      Fuzo CA, Degrève L. Effect of the thermostat in the molecular dynamics simulation on the folding of the model protein chignolin [Internet]. Journal of Molecular Modeling. 2012 ; 18( 6): 2785-2794.Available from: http://dx.doi.org/10.1007/s00894-011-1282-2
  • In: Journal of Molecular Modeling. Unidade: FCF

    Subjects: Modelagem Molecular

    Online source accessDOIHow to cite
    A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
    • ABNT

      TURRA, Kely Medeiros; PASQUALOTO, Kerly Fernanda Mesquita; FERREIRA, Elizabeth Igne; RANDO, Daniela Gonçales. Molecular modeling approach to predict a binding mode for the complex methotrexate-carboxypeptidase 'G IND. 2'. Journal of Molecular Modeling, New York, v. 18, n. 5, p. 1867-1875 : + Supplementary materials ( S1-S3), 2012. Disponível em: < http://dx.doi.org/10.1007/s00894-011-1196-z > DOI: 10.1007/s00894-011-1196-z.
    • APA

      Turra, K. M., Pasqualoto, K. F. M., Ferreira, E. I., & Rando, D. G. (2012). Molecular modeling approach to predict a binding mode for the complex methotrexate-carboxypeptidase 'G IND. 2'. Journal of Molecular Modeling, 18( 5), 1867-1875 : + Supplementary materials ( S1-S3). doi:10.1007/s00894-011-1196-z
    • NLM

      Turra KM, Pasqualoto KFM, Ferreira EI, Rando DG. Molecular modeling approach to predict a binding mode for the complex methotrexate-carboxypeptidase 'G IND. 2' [Internet]. Journal of Molecular Modeling. 2012 ; 18( 5): 1867-1875 : + Supplementary materials ( S1-S3).Available from: http://dx.doi.org/10.1007/s00894-011-1196-z
    • Vancouver

      Turra KM, Pasqualoto KFM, Ferreira EI, Rando DG. Molecular modeling approach to predict a binding mode for the complex methotrexate-carboxypeptidase 'G IND. 2' [Internet]. Journal of Molecular Modeling. 2012 ; 18( 5): 1867-1875 : + Supplementary materials ( S1-S3).Available from: http://dx.doi.org/10.1007/s00894-011-1196-z


Digital Library of Intellectual Production of Universidade de São Paulo     2012 - 2020