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Artigo de periodico
Formic acid stability in different solvents by DFT calculations (2024)
Alvim, Raphael da Silva ; Bresciani, Antonio Esio ; Alves, Rita Maria de Brito
Fonte: Journal of Molecular Modeling. Unidade: EP
Assuntos: HIDROGENAÇÃO, TERMODINÂMICA
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ABNT
ALVIM, Raphael da Silva e BRESCIANI, Antonio Esio e ALVES, Rita Maria de Brito. Formic acid stability in different solvents by DFT calculations. Journal of Molecular Modeling, v. 20, n. 67, p. 1-12, 2024Tradução . . Disponível em: https://link.springer.com/article/10.1007/s00894-024-05849-9. Acesso em: 08 nov. 2025.
APA
Alvim, R. da S., Bresciani, A. E., & Alves, R. M. de B. (2024). Formic acid stability in different solvents by DFT calculations. Journal of Molecular Modeling, 20( 67), 1-12. doi:10.1007/s00894-024-05849-9
NLM
Alvim R da S, Bresciani AE, Alves RM de B. Formic acid stability in different solvents by DFT calculations [Internet]. Journal of Molecular Modeling. 2024 ;20( 67): 1-12.[citado 2025 nov. 08 ] Available from: https://link.springer.com/article/10.1007/s00894-024-05849-9
Vancouver
Alvim R da S, Bresciani AE, Alves RM de B. Formic acid stability in different solvents by DFT calculations [Internet]. Journal of Molecular Modeling. 2024 ;20( 67): 1-12.[citado 2025 nov. 08 ] Available from: https://link.springer.com/article/10.1007/s00894-024-05849-9
Artigo de periodico
Exploring the molecular solvatochromism, stability, reactivity, and non-linear optical response of resveratrol (2024)
Lima, Igo T; Gomes, Ramon F C; Paura, Edson N C; Provasi, Patricio Frederico ; Gester, Rodrigo do Monte ; Cunha, Antonio Rodrigues da
Fonte: Journal of Molecular Modeling. Unidade: IF
Assunto: TERMOQUÍMICA
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ABNT
LIMA, Igo T et al. Exploring the molecular solvatochromism, stability, reactivity, and non-linear optical response of resveratrol. Journal of Molecular Modeling, v. 30, 2024Tradução . . Disponível em: https://doi.org/10.1007/s00894-024-06108-7. Acesso em: 08 nov. 2025.
APA
Lima, I. T., Gomes, R. F. C., Paura, E. N. C., Provasi, P. F., Gester, R. do M., & Cunha, A. R. da. (2024). Exploring the molecular solvatochromism, stability, reactivity, and non-linear optical response of resveratrol. Journal of Molecular Modeling, 30. doi:10.1007/s00894-024-06108-7
NLM
Lima IT, Gomes RFC, Paura ENC, Provasi PF, Gester R do M, Cunha AR da. Exploring the molecular solvatochromism, stability, reactivity, and non-linear optical response of resveratrol [Internet]. Journal of Molecular Modeling. 2024 ; 30[citado 2025 nov. 08 ] Available from: https://doi.org/10.1007/s00894-024-06108-7
Vancouver
Lima IT, Gomes RFC, Paura ENC, Provasi PF, Gester R do M, Cunha AR da. Exploring the molecular solvatochromism, stability, reactivity, and non-linear optical response of resveratrol [Internet]. Journal of Molecular Modeling. 2024 ; 30[citado 2025 nov. 08 ] Available from: https://doi.org/10.1007/s00894-024-06108-7
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
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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
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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
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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
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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
Pharmacophore-based virtual screening from phytocannabinoids as antagonist r-CB1 (2022)
Correia, Lenir Cabral; Ferreira, Jaderson V.; Lima, Henrique B. de; Silva, Guilherme Martins da ; Silva, Carlos Henrique Tomich de Paula da ; Molfetta, Fábio Alberto de; Melim, Lorane Izabel da Silva Hage
Fonte: Journal of Molecular Modeling. Unidades: FCFRP, FFCLRP
Assuntos: CANABINOIDES, TRIAGEM TOXICOLÓGICA, SIMULAÇÃO
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ABNT
CORREIA, Lenir Cabral et al. Pharmacophore-based virtual screening from phytocannabinoids as antagonist r-CB1. Journal of Molecular Modeling, v. 28, n. 9, p. 1-26, 2022Tradução . . Disponível em: https://doi.org/10.1007/s00894-022-05219-3. Acesso em: 08 nov. 2025.
APA
Correia, L. C., Ferreira, J. V., Lima, H. B. de, Silva, G. M. da, Silva, C. H. T. de P. da, Molfetta, F. A. de, & Melim, L. I. da S. H. (2022). Pharmacophore-based virtual screening from phytocannabinoids as antagonist r-CB1. Journal of Molecular Modeling, 28( 9), 1-26. doi:10.1007/s00894-022-05219-3
NLM
Correia LC, Ferreira JV, Lima HB de, Silva GM da, Silva CHT de P da, Molfetta FA de, Melim LI da SH. Pharmacophore-based virtual screening from phytocannabinoids as antagonist r-CB1 [Internet]. Journal of Molecular Modeling. 2022 ; 28( 9): 1-26.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1007/s00894-022-05219-3
Vancouver
Correia LC, Ferreira JV, Lima HB de, Silva GM da, Silva CHT de P da, Molfetta FA de, Melim LI da SH. Pharmacophore-based virtual screening from phytocannabinoids as antagonist r-CB1 [Internet]. Journal of Molecular Modeling. 2022 ; 28( 9): 1-26.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1007/s00894-022-05219-3
Artigo de periodico
Understanding the Fe-CO bond through the electronic structure of Fem+(CO)6-nLn, m = 2, 3, n = 0–3, L = Cl−, Br−, H2O or NH3 (2021)
Pelegrini, Marina; Galembeck, Sérgio Emanuel
Fonte: Journal of Molecular Modeling. Unidade: FFCLRP
Assuntos: MONÓXIDO DE CARBONO, LIGANTES, QUÍMICA QUÂNTICA, ORBITAL MOLECULAR
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ABNT
PELEGRINI, Marina e GALEMBECK, Sérgio Emanuel. Understanding the Fe-CO bond through the electronic structure of Fem+(CO)6-nLn, m = 2, 3, n = 0–3, L = Cl−, Br−, H2O or NH3. Journal of Molecular Modeling, v. 27, n. 5, 2021Tradução . . Disponível em: https://doi.org/10.1007/s00894-021-04744-x. Acesso em: 08 nov. 2025.
APA
Pelegrini, M., & Galembeck, S. E. (2021). Understanding the Fe-CO bond through the electronic structure of Fem+(CO)6-nLn, m = 2, 3, n = 0–3, L = Cl−, Br−, H2O or NH3. Journal of Molecular Modeling, 27( 5). doi:10.1007/s00894-021-04744-x
NLM
Pelegrini M, Galembeck SE. Understanding the Fe-CO bond through the electronic structure of Fem+(CO)6-nLn, m = 2, 3, n = 0–3, L = Cl−, Br−, H2O or NH3 [Internet]. Journal of Molecular Modeling. 2021 ; 27( 5):[citado 2025 nov. 08 ] Available from: https://doi.org/10.1007/s00894-021-04744-x
Vancouver
Pelegrini M, Galembeck SE. Understanding the Fe-CO bond through the electronic structure of Fem+(CO)6-nLn, m = 2, 3, n = 0–3, L = Cl−, Br−, H2O or NH3 [Internet]. Journal of Molecular Modeling. 2021 ; 27( 5):[citado 2025 nov. 08 ] Available from: https://doi.org/10.1007/s00894-021-04744-x
Trabalho de evento-anais periodico
Probing the ground-state structural transition in small lithium clusters by quantum Monte Carlo simulations (2021)
Brito, B. G. A.; Verde, E. L.; Hai, Guo-Qiang ; Cândido, L.
Fonte: Journal of Molecular Modeling. Nome do evento: Symposium on Electronic Structure and Molecular Dynamics - SeedMol. Unidade: IFSC
Assuntos: LÍTIO, MÉTODO DE MONTE CARLO, MODELOS MATEMÁTICOS
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ABNT
BRITO, B. G. A. et al. Probing the ground-state structural transition in small lithium clusters by quantum Monte Carlo simulations. Journal of Molecular Modeling. Heidelberg: Instituto de Física de São Carlos, Universidade de São Paulo. Disponível em: https://doi.org/10.1007/s00894-021-04810-4. Acesso em: 08 nov. 2025. , 2021
APA
Brito, B. G. A., Verde, E. L., Hai, G. -Q., & Cândido, L. (2021). Probing the ground-state structural transition in small lithium clusters by quantum Monte Carlo simulations. Journal of Molecular Modeling. Heidelberg: Instituto de Física de São Carlos, Universidade de São Paulo. doi:10.1007/s00894-021-04810-4
NLM
Brito BGA, Verde EL, Hai G-Q, Cândido L. Probing the ground-state structural transition in small lithium clusters by quantum Monte Carlo simulations [Internet]. Journal of Molecular Modeling. 2021 ; 27( 7): 207-1-207-7.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1007/s00894-021-04810-4
Vancouver
Brito BGA, Verde EL, Hai G-Q, Cândido L. Probing the ground-state structural transition in small lithium clusters by quantum Monte Carlo simulations [Internet]. Journal of Molecular Modeling. 2021 ; 27( 7): 207-1-207-7.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1007/s00894-021-04810-4
Artigo de periodico
The high stability of the three-helix bundle UBA domain of p62 protein as revealed by molecular dynamics simulations (2021)
Teixeira, André Luís; Alves, Nelson Augusto
Fonte: Journal of Molecular Modeling. Unidade: FFCLRP
Assuntos: PROTEÍNAS, FEIXES ÓPTICOS, MOLÉCULA, MUTAÇÃO GENÉTICA
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ABNT
TEIXEIRA, André Luís e ALVES, Nelson Augusto. The high stability of the three-helix bundle UBA domain of p62 protein as revealed by molecular dynamics simulations. Journal of Molecular Modeling, v. 27, n. 4, p. 1-8, 2021Tradução . . Disponível em: http://dx.doi.org/10.1007/s00894-021-04698-0. Acesso em: 08 nov. 2025.
APA
Teixeira, A. L., & Alves, N. A. (2021). The high stability of the three-helix bundle UBA domain of p62 protein as revealed by molecular dynamics simulations. Journal of Molecular Modeling, 27( 4), 1-8. doi:10.1007/s00894-021-04698-0
NLM
Teixeira AL, Alves NA. The high stability of the three-helix bundle UBA domain of p62 protein as revealed by molecular dynamics simulations [Internet]. Journal of Molecular Modeling. 2021 ; 27( 4): 1-8.[citado 2025 nov. 08 ] Available from: http://dx.doi.org/10.1007/s00894-021-04698-0
Vancouver
Teixeira AL, Alves NA. The high stability of the three-helix bundle UBA domain of p62 protein as revealed by molecular dynamics simulations [Internet]. Journal of Molecular Modeling. 2021 ; 27( 4): 1-8.[citado 2025 nov. 08 ] Available from: http://dx.doi.org/10.1007/s00894-021-04698-0
Artigo de periodico
A linker of the proline-threonine repeatingmotif sequence is bimodal (2020)
Skaf, Munir Salomão ; Polikarpov, Igor ; Stankovic, Ivana M.
Fonte: Journal of Molecular Modeling. Unidade: IFSC
Assuntos: XANTHOMONAS, ELASTICIDADE, CATÁLISE
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ABNT
SKAF, Munir Salomão e POLIKARPOV, Igor e STANKOVIC, Ivana M. A linker of the proline-threonine repeatingmotif sequence is bimodal. Journal of Molecular Modeling, v. 26, n. 8, p. 178-1-178-7, 2020Tradução . . Disponível em: https://doi.org/10.1007/s00894-020-04434-0. Acesso em: 08 nov. 2025.
APA
Skaf, M. S., Polikarpov, I., & Stankovic, I. M. (2020). A linker of the proline-threonine repeatingmotif sequence is bimodal. Journal of Molecular Modeling, 26( 8), 178-1-178-7. doi:10.1007/s00894-020-04434-0
NLM
Skaf MS, Polikarpov I, Stankovic IM. A linker of the proline-threonine repeatingmotif sequence is bimodal [Internet]. Journal of Molecular Modeling. 2020 ; 26( 8): 178-1-178-7.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1007/s00894-020-04434-0
Vancouver
Skaf MS, Polikarpov I, Stankovic IM. A linker of the proline-threonine repeatingmotif sequence is bimodal [Internet]. Journal of Molecular Modeling. 2020 ; 26( 8): 178-1-178-7.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1007/s00894-020-04434-0
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
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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: 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
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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: 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
Shedding light on the electronic structure of [Ru(η6-C16H16)(NH3)3]2+ complex: a computational insight (2019)
Orenha, Renato Pereira; Caramori, Giovanni Finoto; Misturini, Alechania; Galembeck, Sérgio Emanuel
Fonte: Journal of Molecular Modeling. Unidade: FFCLRP
Assuntos: LIGAÇÕES QUÍMICAS, ESTRUTURA ELETRÔNICA, COMPUTAÇÃO APLICADA
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ABNT
ORENHA, Renato Pereira et al. Shedding light on the electronic structure of [Ru(η6-C16H16)(NH3)3]2+ complex: a computational insight. Journal of Molecular Modeling, v. 25, n. 1, 2019Tradução . . Disponível em: https://doi.org/10.1007/s00894-018-3882-6. Acesso em: 08 nov. 2025.
APA
Orenha, R. P., Caramori, G. F., Misturini, A., & Galembeck, S. E. (2019). Shedding light on the electronic structure of [Ru(η6-C16H16)(NH3)3]2+ complex: a computational insight. Journal of Molecular Modeling, 25( 1). doi:10.1007/s00894-018-3882-6
NLM
Orenha RP, Caramori GF, Misturini A, Galembeck SE. Shedding light on the electronic structure of [Ru(η6-C16H16)(NH3)3]2+ complex: a computational insight [Internet]. Journal of Molecular Modeling. 2019 ; 25( 1):[citado 2025 nov. 08 ] Available from: https://doi.org/10.1007/s00894-018-3882-6
Vancouver
Orenha RP, Caramori GF, Misturini A, Galembeck SE. Shedding light on the electronic structure of [Ru(η6-C16H16)(NH3)3]2+ complex: a computational insight [Internet]. Journal of Molecular Modeling. 2019 ; 25( 1):[citado 2025 nov. 08 ] Available from: https://doi.org/10.1007/s00894-018-3882-6
Artigo de periodico
Synergistic long-range effects of mutations underlie aggregation propensities of amylin analogues (2019)
Alves, Nelson Augusto ; Dias, Luis Gustavo ; Frigori, Rafael Bertolini
Fonte: Journal of Molecular Modeling. Unidade: FFCLRP
Assuntos: TERMODINÂMICA (FÍSICO-QUÍMICA), SOLVATAÇÃO, ENERGIA
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ABNT
ALVES, Nelson Augusto e DIAS, Luis Gustavo e FRIGORI, Rafael Bertolini. Synergistic long-range effects of mutations underlie aggregation propensities of amylin analogues. Journal of Molecular Modeling, v. 25, n. 9, 2019Tradução . . Disponível em: https://doi.org/10.1007/s00894-019-4137-x. Acesso em: 08 nov. 2025.
APA
Alves, N. A., Dias, L. G., & Frigori, R. B. (2019). Synergistic long-range effects of mutations underlie aggregation propensities of amylin analogues. Journal of Molecular Modeling, 25( 9). doi:10.1007/s00894-019-4137-x
NLM
Alves NA, Dias LG, Frigori RB. Synergistic long-range effects of mutations underlie aggregation propensities of amylin analogues [Internet]. Journal of Molecular Modeling. 2019 ; 25( 9):[citado 2025 nov. 08 ] Available from: https://doi.org/10.1007/s00894-019-4137-x
Vancouver
Alves NA, Dias LG, Frigori RB. Synergistic long-range effects of mutations underlie aggregation propensities of amylin analogues [Internet]. Journal of Molecular Modeling. 2019 ; 25( 9):[citado 2025 nov. 08 ] Available from: https://doi.org/10.1007/s00894-019-4137-x
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
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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: 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
Computational design of new protein kinase 2 inhibitors for the treatment of inflammatory diseases using QSAR, pharmacophore-structure-based virtual screening, and molecular dynamics (2018)
Cruz, Josiane Viana; Serafim, Rodolfo Bortolozo; Silva, Gabriel Monteiro da; Giuliatti, Silvana; Rosa, Joaquín M. C.; Araújo Neto, Moysés F.; Leite, Franco Henrique Andrade; Taft, Carlton A.; Silva, Carlos Henrique Tomich de Paula da; Santos, Cleydson B. R.
Fonte: Journal of Molecular Modeling. Unidades: FMRP, FCFRP
Assuntos: ANTI-INFLAMATÓRIOS, FARMACOCINÉTICA
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ABNT
CRUZ, Josiane Viana 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, v. 24, n. 9, 2018Tradução . . Disponível em: https://doi.org/10.1007/s00894-018-3756-y. Acesso em: 08 nov. 2025.
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):[citado 2025 nov. 08 ] Available from: https://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):[citado 2025 nov. 08 ] Available from: https://doi.org/10.1007/s00894-018-3756-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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ABNT
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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ABNT
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
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 (2014)
Galembeck, Sergio Emanuel; Bickelhaupt, F. Matthias; Guerra, Célia Fonseca; Galembeck, Eduardo
Fonte: Journal of Molecular Modeling. Unidade: FFCLRP
Assuntos: SÍNDROME DE IMUNODEFICIÊNCIA ADQUIRIDA, HIV
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
GALEMBECK, Sergio Emanuel et al. 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, v. 20, n. 7, p. 2332-1-2332-11, 2014Tradução . . Disponível em: https://doi.org/10.1007/s00894-014-2332-3. Acesso em: 08 nov. 2025.
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.[citado 2025 nov. 08 ] Available from: https://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.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1007/s00894-014-2332-3

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