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Artigo de periodico
Benchmark studies of UV-vis spectra simulation for cinnamates with UV filter profile (2015)
Garcia, Ricardo D'A; Maltarollo, Vinícius Gonçalves; Honório, Kathia Maria; Trossini, Gustavo Henrique Goulart
Fonte: Journal of Molecular Modeling. Unidades: EACH, FCF
Assuntos: MODELAGEM MOLECULAR, ESPECTROSCOPIA ULTRAVIOLETA
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ABNT
GARCIA, Ricardo D'A et al. Benchmark studies of UV-vis spectra simulation for cinnamates with UV filter profile. Journal of Molecular Modeling, v. 21, p. 1-13 art. 150, 2015Tradução . . Disponível em: https://doi.org/10.1007/s00894-015-2689-y. Acesso em: 08 nov. 2025.
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.[citado 2025 nov. 08 ] Available from: https://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.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1007/s00894-015-2689-y
Artigo de periodico
Theoretical study of tautomers and photoisomers of avobenzone by DFT methods (2015)
Trossini, Gustavo Henrique Goulart ; Maltarollo, Vinícius Gonçalves; Garcia, Ricardo D’A; Pinto, Claudinéia Aparecida Sales de Oliveira ; Velasco, Maria Valéria Robles ; Honório, Kathia Maria; Baby, André Rolim
Fonte: Journal of Molecular Modeling. Unidades: EACH, FCF
Assuntos: MODELAGEM MOLECULAR, COSMÉTICOS, FILTRO SOLAR, TAUTOMERIA
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TROSSINI, Gustavo Henrique Goulart et al. Theoretical study of tautomers and photoisomers of avobenzone by DFT methods. Journal of Molecular Modeling, v. 21, n. 12, p. 1-7, 2015Tradução . . Disponível em: https://doi.org/10.1007/s00894-015-2863-2. Acesso em: 08 nov. 2025.
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.[citado 2025 nov. 08 ] Available from: https://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.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1007/s00894-015-2863-2
Artigo de periodico
Understanding electrostatic and steric requirements related to hypertensive action of AT1 antagonists using molecular modeling techniques (2014)
Silva, Danielle da Costa; Maltarollo, Vinícius Gonçalves; Lima, Emmanuela Ferreira de; Weber, Karen Cacilda; Honório, Kathia Maria
Fonte: Journal of Molecular Modeling. Unidade: EACH
Assuntos: MODELAGEM MOLECULAR, PLANEJAMENTO DE FÁRMACOS, RELAÇÕES ESTRUTURA-ATIVIDADE, BIOFÍSICA, ANGIOTENSINA II, DOENÇAS CARDIOVASCULARES, BIOFÍSICA
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SILVA, Danielle da Costa et al. Understanding electrostatic and steric requirements related to hypertensive action of AT1 antagonists using molecular modeling techniques. Journal of Molecular Modeling, v. 20, n. 7, p. 2231, 2014Tradução . . Disponível em: https://doi.org/10.1007/s00894-014-2231-7. Acesso em: 08 nov. 2025.
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.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1007/s00894-014-2231-7
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.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1007/s00894-014-2231-7
Artigo de periodico
Quantum chemical DFT study of the interaction between molecular oxygen and FeN4 complexes, and effect of the macrocyclic ligand (2014)
Silva, Adilson Luís Pereira; Almeida, Luciano Farias de; Marques, Aldalea Lopes Brandes; Costa, Hawbertt Rocha; Tanaka, Auro Atsushi ; Silva, Alberico Borges Ferreira da ; Varela Junior, Jaldyr de Jesus Gomes
Fonte: Journal of Molecular Modeling. Unidade: IQSC
Assuntos: MODELAGEM MOLECULAR, QUÍMICA
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ABNT
SILVA, Adilson Luís Pereira 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, v. 20, n. 3, p. 2131, 2014Tradução . . Disponível em: https://doi.org/10.1007/s00894-014-2131-x. Acesso em: 08 nov. 2025.
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.[citado 2025 nov. 08 ] Available from: https://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.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1007/s00894-014-2131-x
Artigo de periodico
Molecular properties of the PCO radical: heat of formation and the isomerization pathways (2014)
Vianna, Rommel B; Guimarães, Amanda Ribeiro; Souza, Aguinaldo Robinson de; Silva, Alberico Borges Ferreira da
Fonte: Journal of Molecular Modeling. Unidade: IQSC
Assuntos: MODELAGEM MOLECULAR, QUÍMICA
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ABNT
VIANNA, Rommel B et al. Molecular properties of the PCO radical: heat of formation and the isomerization pathways. Journal of Molecular Modeling, v. 20, n. 2, 2014Tradução . . Disponível em: https://doi.org/10.1007/s00894-014-2074-2. Acesso em: 08 nov. 2025.
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):[citado 2025 nov. 08 ] Available from: https://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):[citado 2025 nov. 08 ] Available from: https://doi.org/10.1007/s00894-014-2074-2
Artigo de periodico
The CH3PH2 and CH3PH isomers: isomerization, hydrogen release, thermodynamic, and spectroscopy properties (2014)
Vianna, Rommel B; Silva, Alberico Borges Ferreira da
Fonte: Journal of Molecular Modeling. Unidade: IQSC
Assuntos: MODELAGEM MOLECULAR, QUÍMICA
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ABNT
VIANNA, Rommel B e SILVA, Alberico Borges Ferreira da. The CH3PH2 and CH3PH isomers: isomerization, hydrogen release, thermodynamic, and spectroscopy properties. Journal of Molecular Modeling, v. 20, n. 8, p. 2372--2378, 2014Tradução . . Disponível em: https://doi.org/10.1007/s00894-014-2372-8. Acesso em: 08 nov. 2025.
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.[citado 2025 nov. 08 ] Available from: https://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.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1007/s00894-014-2372-8
Artigo de periodico
First- and second -row transition metal oxa-aza macrocyclic complexes: a DFT study of an octahedral conformation (2012)
Lima, Francisco Chagas Alves; Viana, Rommel Bezerra; Silva, Thais T. da; Wardell, Solange M. S. V; Nascimento do Filho, Armando P.; Carneiro, José Walkimar M.; Comar Júnior, Moacyr; Silva, Alberico Borges Ferreira da
Fonte: Journal of Molecular Modeling. Unidade: IQSC
Assuntos: MODELAGEM MOLECULAR, QUÍMICA
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ABNT
LIMA, Francisco Chagas Alves et al. First- and second -row transition metal oxa-aza macrocyclic complexes: a DFT study of an octahedral conformation. Journal of Molecular Modeling, v. 18, n. 7, p. 3243-3253, 2012Tradução . . Disponível em: https://doi.org/10.1007/s00894-011-1323-x. Acesso em: 08 nov. 2025.
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.[citado 2025 nov. 08 ] Available from: https://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.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1007/s00894-011-1323-x
Artigo de periodico
The basic antioxidant structure for flavonoid derivatives (2012)
Mendes, Anna P. S; Borges, Rosivaldo S; Chaves Neto, Antonio M. J.; Macedo, Luiz Guilherme Machado de; Silva, Alberico Borges Ferreira da
Fonte: Journal of Molecular Modeling. Unidade: IQSC
Assuntos: MODELAGEM MOLECULAR, QUÍMICA
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ABNT
MENDES, Anna P. S et al. The basic antioxidant structure for flavonoid derivatives. Journal of Molecular Modeling, v. 18, n. 9, p. 4073-4080, 2012Tradução . . Disponível em: https://doi.org/10.1007/s00894-012-1397-0. Acesso em: 08 nov. 2025.
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.[citado 2025 nov. 08 ] Available from: https://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.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1007/s00894-012-1397-0
Artigo de periodico
Molecular modeling approach to predict a binding mode for the complex methotrexate-carboxypeptidase 'G IND. 2' (2012)
Turra, Kely Medeiros; Pasqualoto, Kerly Fernanda Mesquita; Ferreira, Elizabeth Igne ; Rando, Daniela Gonçales
Fonte: Journal of Molecular Modeling. Unidade: FCF
Assunto: MODELAGEM MOLECULAR
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ABNT
TURRA, Kely Medeiros et al. Molecular modeling approach to predict a binding mode for the complex methotrexate-carboxypeptidase 'G IND. 2'. Journal of Molecular Modeling, v. 18, n. 5, p. 1867-1875 : + Supplementary materials ( S1-S3), 2012Tradução . . Disponível em: https://doi.org/10.1007/s00894-011-1196-z. Acesso em: 08 nov. 2025.
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).[citado 2025 nov. 08 ] Available from: https://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).[citado 2025 nov. 08 ] Available from: https://doi.org/10.1007/s00894-011-1196-z
Artigo de periodico
Molecular modeling study on the disassembly of dendrimers designed as potential antichagasic and antileishmanial prodrugs (2012)
Giarolla, Jeanine ; Pasqualoto, Kerly Fernanda Mesquita; Rando, Daniela Gonçales; Zaim, Marcio Henrique; Ferreira, Elizabeth Igne
Fonte: Journal of Molecular Modeling. Unidade: FCF
Assuntos: MODELAGEM MOLECULAR, DOENÇA DE CHAGAS, LEISHMANIA
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ABNT
GIAROLLA, Jeanine et al. Molecular modeling study on the disassembly of dendrimers designed as potential antichagasic and antileishmanial prodrugs. Journal of Molecular Modeling, v. 18, n. 5, p. 2257-2269, 2012Tradução . . Disponível em: https://doi.org/10.1007/s00894-011-1244-8. Acesso em: 08 nov. 2025.
APA
Giarolla, J., Pasqualoto, K. F. M., Rando, D. G., Zaim, M. H., & Ferreira, E. I. (2012). Molecular modeling study on the disassembly of dendrimers designed as potential antichagasic and antileishmanial prodrugs. Journal of Molecular Modeling, 18( 5), 2257-2269. doi:10.1007/s00894-011-1244-8
NLM
Giarolla J, Pasqualoto KFM, Rando DG, Zaim MH, Ferreira EI. Molecular modeling study on the disassembly of dendrimers designed as potential antichagasic and antileishmanial prodrugs [Internet]. Journal of Molecular Modeling. 2012 ; 18( 5): 2257-2269.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1007/s00894-011-1244-8
Vancouver
Giarolla J, Pasqualoto KFM, Rando DG, Zaim MH, Ferreira EI. Molecular modeling study on the disassembly of dendrimers designed as potential antichagasic and antileishmanial prodrugs [Internet]. Journal of Molecular Modeling. 2012 ; 18( 5): 2257-2269.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1007/s00894-011-1244-8
Artigo de periodico
Molecular modeling and QSAR studies of a set of indole and benzimidazole derivatives as 'H IND. 4' receptor antagonists (2011)
Fernandes, João Paulo dos Santos; Pasqualoto, Kerly Fernanda Mesquita; Ferreira, Elizabeth Igne ; Brandt, Carlos A
Fonte: Journal of Molecular Modeling. Unidade: FCF
Assuntos: ANTI-INFLAMATÓRIOS, MODELAGEM MOLECULAR, RELAÇÕES QUANTITATIVAS ENTRE ESTRUTURA QUÍMICA E ATIVIDADE BIOLÓGICA
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ABNT
FERNANDES, João Paulo dos Santos et al. Molecular modeling and QSAR studies of a set of indole and benzimidazole derivatives as 'H IND. 4' receptor antagonists. Journal of Molecular Modeling, v. 17, n. 5, p. 921-928, 2011Tradução . . Disponível em: https://doi.org/10.1007/s00894-010-0779-4. Acesso em: 08 nov. 2025.
APA
Fernandes, J. P. dos S., Pasqualoto, K. F. M., Ferreira, E. I., & Brandt, C. A. (2011). Molecular modeling and QSAR studies of a set of indole and benzimidazole derivatives as 'H IND. 4' receptor antagonists. Journal of Molecular Modeling, 17( 5), 921-928. doi:10.1007/s00894-010-0779-4
NLM
Fernandes JP dos S, Pasqualoto KFM, Ferreira EI, Brandt CA. Molecular modeling and QSAR studies of a set of indole and benzimidazole derivatives as 'H IND. 4' receptor antagonists [Internet]. Journal of Molecular Modeling. 2011 ; 17( 5): 921-928.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1007/s00894-010-0779-4
Vancouver
Fernandes JP dos S, Pasqualoto KFM, Ferreira EI, Brandt CA. Molecular modeling and QSAR studies of a set of indole and benzimidazole derivatives as 'H IND. 4' receptor antagonists [Internet]. Journal of Molecular Modeling. 2011 ; 17( 5): 921-928.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1007/s00894-010-0779-4

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