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Artigo de periodico
On polarization functions for Gaussian basis sets (2020)
Maringolo, Milena Palhares; Tello, Ana Cristina Mora; Guimaraes, Amanda Ribeiro ; Alves, Júlia Maria Aragon; Lima, Francisco das Chagas Alves; Longo, Elson ; Silva, Alberico Borges Ferreira da
Source: Journal of Molecular Modeling. Unidade: IQSC
Subjects: QUÍMICA TEÓRICA, POLARIZAÇÃO, MOLÉCULA
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ABNT
MARINGOLO, Milena Palhares et al. On polarization functions for Gaussian basis sets. Journal of Molecular Modeling, v. 26, p. 293 sept.2020, 2020Tradução . . Disponível em: https://doi.org/10.1007/s00894-020-04538-7. Acesso em: 09 nov. 2025.
APA
Maringolo, M. P., Tello, A. C. M., Guimaraes, A. R., Alves, J. M. A., Lima, F. das C. A., Longo, E., & Silva, A. B. F. da. (2020). On polarization functions for Gaussian basis sets. Journal of Molecular Modeling, 26, 293 sept.2020. doi:10.1007/s00894-020-04538-7
NLM
Maringolo MP, Tello ACM, Guimaraes AR, Alves JMA, Lima F das CA, Longo E, Silva ABF da. On polarization functions for Gaussian basis sets [Internet]. Journal of Molecular Modeling. 2020 ; 26 293 sept.2020.[citado 2025 nov. 09 ] Available from: https://doi.org/10.1007/s00894-020-04538-7
Vancouver
Maringolo MP, Tello ACM, Guimaraes AR, Alves JMA, Lima F das CA, Longo E, Silva ABF da. On polarization functions for Gaussian basis sets [Internet]. Journal of Molecular Modeling. 2020 ; 26 293 sept.2020.[citado 2025 nov. 09 ] Available from: https://doi.org/10.1007/s00894-020-04538-7
Artigo de periodico
New inhibitors of homoserine dehydrogenase from Paracoccidioides brasiliensis presenting antifungal activity (2019)
Bueno, Paulo Sérgio Alves; Franciele Abigail Vilugron Rodrigues; Santos, Jessyka Lima; Canduri, Fernanda ; Biavatti, Débora Carina; Pimentel, Arethusa Lobo; Bagatin, Mariane Cristóvão; Kioshima, Érika Seki; Gauze, Gisele de Freitas; Seixas, Flavio Augusto Vicente
Source: Journal of Molecular Modeling. Unidade: IQSC
Subjects: FÁRMACOS, ANTIFÚNGICOS, MICOSES
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ABNT
BUENO, Paulo Sérgio Alves et al. New inhibitors of homoserine dehydrogenase from Paracoccidioides brasiliensis presenting antifungal activity. Journal of Molecular Modeling, v. 25, p. 325, 2019Tradução . . Disponível em: https://doi.org/10.1007/s00894-019-4221-2. Acesso em: 09 nov. 2025.
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.[citado 2025 nov. 09 ] 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.[citado 2025 nov. 09 ] Available from: https://doi.org/10.1007/s00894-019-4221-2
Artigo de periodico
Similarity search combined with docking and molecular dynamics for novel hAChE inhibitor scaffolds (2018)
Borges, Nádia Melo; Sartori, Geraldo Rodrigues; Ribeiro, Jean Francisco Rosa; Rocha, Josmar Rodrigues da; Martins, João Batista Lopes; Montanari, Carlos Alberto ; Gargano, Ricardo
Source: Journal of Molecular Modeling. Unidade: IQSC
Assunto: FÁRMACOS
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ABNT
BORGES, Nádia Melo et al. Similarity search combined with docking and molecular dynamics for novel hAChE inhibitor scaffolds. Journal of Molecular Modeling, v. 24, n. 1, p. 4 , 2018Tradução . . Disponível em: https://doi.org/10.1007/s00894-017-3548-9. Acesso em: 09 nov. 2025.
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 .[citado 2025 nov. 09 ] 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 .[citado 2025 nov. 09 ] Available from: https://doi.org/10.1007/s00894-017-3548-9
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
Source: Journal of Molecular Modeling. Unidade: IQSC
Subjects: 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: 09 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. 09 ] 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. 09 ] 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
Source: Journal of Molecular Modeling. Unidade: IQSC
Subjects: MODELAGEM MOLECULAR, QUÍMICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
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: 09 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. 09 ] 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. 09 ] 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
Source: Journal of Molecular Modeling. Unidade: IQSC
Subjects: MODELAGEM MOLECULAR, QUÍMICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
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: 09 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. 09 ] 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. 09 ] 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
Source: Journal of Molecular Modeling. Unidade: IQSC
Subjects: 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: 09 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. 09 ] 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. 09 ] 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
Source: Journal of Molecular Modeling. Unidade: IQSC
Subjects: MODELAGEM MOLECULAR, QUÍMICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
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: 09 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. 09 ] 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. 09 ] Available from: https://doi.org/10.1007/s00894-012-1397-0

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