ReP USP - Resultado da busca

Artigo de periodico
Predicting biological activity and design of 5-HT6 antagonists through assessment of ANN-QSAR models in the context of Alzheimer’s disease (2024)
Sousa, Daniel da Silva de ; Silva, Aldineia Pereira da ; Chiari, Laise Pellegrini Alencar ; Angelo, Rafaela M. de; Sousa, Alexsandro G. de; Honorio, Kathia Maria ; Silva, Alberico Borges Ferreira da
Fonte: Journal of Molecular Modeling. Unidades: EACH, IQSC
Assuntos: DOENÇA DE ALZHEIMER, ANTAGONISTAS
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
SOUSA, Daniel da Silva de et al. Predicting biological activity and design of 5-HT6 antagonists through assessment of ANN-QSAR models in the context of Alzheimer’s disease. Journal of Molecular Modeling, v. 30, p. 350, 2024Tradução . . Disponível em: https://doi.org/10.1007/s00894-024-06134-5. Acesso em: 08 nov. 2025.
APA
Sousa, D. da S. de, Silva, A. P. da, Chiari, L. P. A., Angelo, R. M. de, Sousa, A. G. de, Honorio, K. M., & Silva, A. B. F. da. (2024). Predicting biological activity and design of 5-HT6 antagonists through assessment of ANN-QSAR models in the context of Alzheimer’s disease. Journal of Molecular Modeling, 30, 350. doi:10.1007/s00894-024-06134-5
NLM
Sousa D da S de, Silva AP da, Chiari LPA, Angelo RM de, Sousa AG de, Honorio KM, Silva ABF da. Predicting biological activity and design of 5-HT6 antagonists through assessment of ANN-QSAR models in the context of Alzheimer’s disease [Internet]. Journal of Molecular Modeling. 2024 ;30 350.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1007/s00894-024-06134-5
Vancouver
Sousa D da S de, Silva AP da, Chiari LPA, Angelo RM de, Sousa AG de, Honorio KM, Silva ABF da. Predicting biological activity and design of 5-HT6 antagonists through assessment of ANN-QSAR models in the context of Alzheimer’s disease [Internet]. Journal of Molecular Modeling. 2024 ;30 350.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1007/s00894-024-06134-5
Artigo de periodico
Antioxidant capacity of simplified oxygen heterocycles and proposed derivatives by theoretical calculations (2023)
Borges, Rosivaldo S; Aguiar, Christiane p; Oliveira, Nicole l; Amaral, Israel N A; Vale, Joyce K. L; Cheves Neto, Antonio M J; Queiroz, Aureikson N; Silva, Alberico Borges Ferreira da
Fonte: Journal of Molecular Modeling. Unidade: IQSC
Assuntos: FLAVONOIDES, POLIFENÓIS
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
BORGES, Rosivaldo S et al. Antioxidant capacity of simplified oxygen heterocycles and proposed derivatives by theoretical calculations. Journal of Molecular Modeling, v. 29, p. 232, 2023Tradução . . Disponível em: https://doi.org/10.1007/s00894-023-05602-8. Acesso em: 08 nov. 2025.
APA
Borges, R. S., Aguiar, C. p, Oliveira, N. l, Amaral, I. N. A., Vale, J. K. L., Cheves Neto, A. M. J., et al. (2023). Antioxidant capacity of simplified oxygen heterocycles and proposed derivatives by theoretical calculations. Journal of Molecular Modeling, 29, 232. doi:10.1007/s00894-023-05602-8
NLM
Borges RS, Aguiar C p, Oliveira N l, Amaral INA, Vale JKL, Cheves Neto AMJ, Queiroz AN, Silva ABF da. Antioxidant capacity of simplified oxygen heterocycles and proposed derivatives by theoretical calculations [Internet]. Journal of Molecular Modeling. 2023 ;29 232.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1007/s00894-023-05602-8
Vancouver
Borges RS, Aguiar C p, Oliveira N l, Amaral INA, Vale JKL, Cheves Neto AMJ, Queiroz AN, Silva ABF da. Antioxidant capacity of simplified oxygen heterocycles and proposed derivatives by theoretical calculations [Internet]. Journal of Molecular Modeling. 2023 ;29 232.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1007/s00894-023-05602-8
Artigo de periodico
A PLS study on the psychotropic activity for a series of cannabinoid compounds (2023)
Chiari, Laise Pellegrini Alencar ; Silva, Aldineia Pereira da ; Honorio, Kathia Maria ; Silva, Alberico Borges Ferreira da
Fonte: Journal of Molecular Modeling. Unidades: EACH, IQSC
Assuntos: FÁRMACOS PSICOTRÓPICOS, CANABINOIDES, RECEPTORES, PROTEÍNAS, RELAÇÕES QUANTITATIVAS ENTRE ESTRUTURA QUÍMICA E ATIVIDADE BIOLÓGICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
CHIARI, Laise Pellegrini Alencar et al. A PLS study on the psychotropic activity for a series of cannabinoid compounds. Journal of Molecular Modeling, v. 29, 2023Tradução . . Disponível em: https://doi.org/10.1007/s00894-023-05443-5. Acesso em: 08 nov. 2025.
APA
Chiari, L. P. A., Silva, A. P. da, Honorio, K. M., & Silva, A. B. F. da. (2023). A PLS study on the psychotropic activity for a series of cannabinoid compounds. Journal of Molecular Modeling, 29. doi:10.1007/s00894-023-05443-5
NLM
Chiari LPA, Silva AP da, Honorio KM, Silva ABF da. A PLS study on the psychotropic activity for a series of cannabinoid compounds [Internet]. Journal of Molecular Modeling. 2023 ; 29[citado 2025 nov. 08 ] Available from: https://doi.org/10.1007/s00894-023-05443-5
Vancouver
Chiari LPA, Silva AP da, Honorio KM, Silva ABF da. A PLS study on the psychotropic activity for a series of cannabinoid compounds [Internet]. Journal of Molecular Modeling. 2023 ; 29[citado 2025 nov. 08 ] Available from: https://doi.org/10.1007/s00894-023-05443-5
Artigo de periodico
Accurate rate constants for elementary reactions of molecular hydrogen and carbon monoxide mixtures and the role of the H2 rich environment (2022)
Vichietti, Rafael M.; Spada, Rene F. K.; Machado, Francisco B. C.; Haiduke, Roberto Luiz Andrade
Fonte: Journal of Molecular Modeling. Unidade: IQSC
Assuntos: ESTRUTURA ELETRÔNICA, QUÍMICA TEÓRICA, HIDROGÊNIO
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
VICHIETTI, Rafael M. et al. Accurate rate constants for elementary reactions of molecular hydrogen and carbon monoxide mixtures and the role of the H2 rich environment. Journal of Molecular Modeling, v. 28, p. 229, 2022Tradução . . Disponível em: https://doi.org/10.1007/s00894-022-05207-7. Acesso em: 08 nov. 2025.
APA
Vichietti, R. M., Spada, R. F. K., Machado, F. B. C., & Haiduke, R. L. A. (2022). Accurate rate constants for elementary reactions of molecular hydrogen and carbon monoxide mixtures and the role of the H2 rich environment. Journal of Molecular Modeling, 28, 229. doi:10.1007/s00894-022-05207-7
NLM
Vichietti RM, Spada RFK, Machado FBC, Haiduke RLA. Accurate rate constants for elementary reactions of molecular hydrogen and carbon monoxide mixtures and the role of the H2 rich environment [Internet]. Journal of Molecular Modeling. 2022 ;28 229.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1007/s00894-022-05207-7
Vancouver
Vichietti RM, Spada RFK, Machado FBC, Haiduke RLA. Accurate rate constants for elementary reactions of molecular hydrogen and carbon monoxide mixtures and the role of the H2 rich environment [Internet]. Journal of Molecular Modeling. 2022 ;28 229.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1007/s00894-022-05207-7
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
Fonte: Journal of Molecular Modeling. Unidade: IQSC
Assuntos: QUÍMICA TEÓRICA, POLARIZAÇÃO, MOLÉCULA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
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: 08 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. 08 ] 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. 08 ] 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
Fonte: Journal of Molecular Modeling. Unidade: IQSC
Assuntos: FÁRMACOS, ANTIFÚNGICOS, MICOSES
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
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: 08 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. 08 ] 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. 08 ] 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
Fonte: Journal of Molecular Modeling. Unidade: IQSC
Assunto: FÁRMACOS
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
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: 08 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. 08 ] 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. 08 ] Available from: https://doi.org/10.1007/s00894-017-3548-9
Artigo de periodico
New consensus multivariate models based on PLS and ANN studies of sigma-1 receptor antagonists (2017)
Oliveira, Aline A; Lipinski, Célio F; Pereira, Estevão B; Honório, Káthia Maria; Oliveira, Patrícia Rufino; Weber, Karen C; Romero, Roseli Aparecida Francelin ; Sousa, Alexsandro G. de; Silva, Alberico Borges Ferreira da
Fonte: Journal of Molecular Modeling. Unidades: EACH, ICMC, IQSC
Assuntos: FARMACOLOGIA MOLECULAR, RECEPTORES, MODELOS (ANÁLISE MULTIVARIADA), REDES NEURAIS
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
OLIVEIRA, Aline A et al. New consensus multivariate models based on PLS and ANN studies of sigma-1 receptor antagonists. Journal of Molecular Modeling, v. 23, p. 1-15, 2017Tradução . . Disponível em: https://doi.org/10.1007/s00894-017-3444-3. Acesso em: 08 nov. 2025.
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.[citado 2025 nov. 08 ] Available from: https://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.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1007/s00894-017-3444-3
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
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
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
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: 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
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: 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
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
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
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: 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
Docking and molecular dynamics simulation of quinone compounds with trypanocidal activity (2009)
Molfetta, Fábio Alberto de; Freitas, Renato Ferreira de; Silva, Alberico Borges Ferreira da ; Montanari, Carlos Alberto
Fonte: Journal of Molecular Modeling. Unidade: IQSC
Assunto: QUÍMICA TEÓRICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
MOLFETTA, Fábio Alberto de et al. Docking and molecular dynamics simulation of quinone compounds with trypanocidal activity. Journal of Molecular Modeling, v. 15, n. 10, p. 1175-1184, 2009Tradução . . Disponível em: https://doi.org/10.1007/s00894-009-0468-3. Acesso em: 08 nov. 2025.
APA
Molfetta, F. A. de, Freitas, R. F. de, Silva, A. B. F. da, & Montanari, C. A. (2009). Docking and molecular dynamics simulation of quinone compounds with trypanocidal activity. Journal of Molecular Modeling, 15( 10), 1175-1184. doi:10.1007/s00894-009-0468-3
NLM
Molfetta FA de, Freitas RF de, Silva ABF da, Montanari CA. Docking and molecular dynamics simulation of quinone compounds with trypanocidal activity [Internet]. Journal of Molecular Modeling. 2009 ; 15( 10): 1175-1184.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1007/s00894-009-0468-3
Vancouver
Molfetta FA de, Freitas RF de, Silva ABF da, Montanari CA. Docking and molecular dynamics simulation of quinone compounds with trypanocidal activity [Internet]. Journal of Molecular Modeling. 2009 ; 15( 10): 1175-1184.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1007/s00894-009-0468-3
Artigo de periodico
A neural networks study of quinone compounds with trypanocidal activity (2008)
Molfetta, Fábio Alberto de; Angelotti, Wagner Fernando Delfino; Romero, Roseli Aparecida Francelin ; Montanari, Carlos Alberto ; Silva, Alberico Borges Ferreira da
Fonte: Journal of Molecular Modeling. Unidades: ICMC, IQSC
Assunto: QUÍMICA TEÓRICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
MOLFETTA, Fábio Alberto de et al. A neural networks study of quinone compounds with trypanocidal activity. Journal of Molecular Modeling, v. 14, n. 10, p. 975-985, 2008Tradução . . Disponível em: https://doi.org/10.1007/s00894-008-0332-x. Acesso em: 08 nov. 2025.
APA
Molfetta, F. A. de, Angelotti, W. F. D., Romero, R. A. F., Montanari, C. A., & Silva, A. B. F. da. (2008). A neural networks study of quinone compounds with trypanocidal activity. Journal of Molecular Modeling, 14( 10), 975-985. doi:10.1007/s00894-008-0332-x
NLM
Molfetta FA de, Angelotti WFD, Romero RAF, Montanari CA, Silva ABF da. A neural networks study of quinone compounds with trypanocidal activity [Internet]. Journal of Molecular Modeling. 2008 ; 14( 10): 975-985.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1007/s00894-008-0332-x
Vancouver
Molfetta FA de, Angelotti WFD, Romero RAF, Montanari CA, Silva ABF da. A neural networks study of quinone compounds with trypanocidal activity [Internet]. Journal of Molecular Modeling. 2008 ; 14( 10): 975-985.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1007/s00894-008-0332-x
Artigo de periodico
The use of classification methods for modeling the antioxidant activity of flavonoid compounds (2006)
Weber, Karen Cacilda; Honório, Káthia Maria; Bruni, Aline T; Silva, Alberico Borges Ferreira da
Fonte: Journal of Molecular Modeling. Unidades: IQSC, EACH
Assunto: QUÍMICA TEÓRICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
WEBER, Karen Cacilda et al. The use of classification methods for modeling the antioxidant activity of flavonoid compounds. Journal of Molecular Modeling, v. 12, n. 6, p. 915-920, 2006Tradução . . Disponível em: https://doi.org/10.1007/s00894-005-0083-x. Acesso em: 08 nov. 2025.
APA
Weber, K. C., Honório, K. M., Bruni, A. T., & Silva, A. B. F. da. (2006). The use of classification methods for modeling the antioxidant activity of flavonoid compounds. Journal of Molecular Modeling, 12( 6), 915-920. doi:10.1007/s00894-005-0083-x
NLM
Weber KC, Honório KM, Bruni AT, Silva ABF da. The use of classification methods for modeling the antioxidant activity of flavonoid compounds [Internet]. Journal of Molecular Modeling. 2006 ; 12( 6): 915-920.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1007/s00894-005-0083-x
Vancouver
Weber KC, Honório KM, Bruni AT, Silva ABF da. The use of classification methods for modeling the antioxidant activity of flavonoid compounds [Internet]. Journal of Molecular Modeling. 2006 ; 12( 6): 915-920.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1007/s00894-005-0083-x
Artigo de periodico
A study on the influence of molecular properties in the psychoactivity of cannabinoid compounds (2005)
Honório, Káthia Maria; Silva, Alberico Borges Ferreira da
Fonte: Journal of Molecular Modeling. Unidade: IQSC
Assunto: QUÍMICA TEÓRICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
HONÓRIO, Káthia Maria e SILVA, Alberico Borges Ferreira da. A study on the influence of molecular properties in the psychoactivity of cannabinoid compounds. Journal of Molecular Modeling, v. 11, n. 3, p. 200-209, 2005Tradução . . Disponível em: https://doi.org/10.1007/s00894-005-0243-z. Acesso em: 08 nov. 2025.
APA
Honório, K. M., & Silva, A. B. F. da. (2005). A study on the influence of molecular properties in the psychoactivity of cannabinoid compounds. Journal of Molecular Modeling, 11( 3), 200-209. doi:10.1007/s00894-005-0243-z
NLM
Honório KM, Silva ABF da. A study on the influence of molecular properties in the psychoactivity of cannabinoid compounds [Internet]. Journal of Molecular Modeling. 2005 ;11( 3): 200-209.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1007/s00894-005-0243-z
Vancouver
Honório KM, Silva ABF da. A study on the influence of molecular properties in the psychoactivity of cannabinoid compounds [Internet]. Journal of Molecular Modeling. 2005 ;11( 3): 200-209.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1007/s00894-005-0243-z

Unidades USP

ReP

Filtros

Autores

Autores USP

Ano de publicação

Assuntos

Agência de fomento

Indexado em

Afiliação dos autores externos normalizada

Afiliação dos autores externos não normalizada