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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
Source: Journal of Molecular Modeling. Unidade: EP
Subjects: 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
How do physicochemical properties contribute to inhibitory activity of promising peptides against Zika Virus NS3 protease? (2024)
Savino, Débora Feliciano; Silva, João Vitor da ; Santos, Soraya da Silva ; Lourenço, Felipe Rebello ; Giarolla, Jeanine
Source: Journal of Molecular Modeling. Unidade: FCF
Subjects: ZIKA VÍRUS, PEPTÍDEOS
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ABNT
SAVINO, Débora Feliciano et al. How do physicochemical properties contribute to inhibitory activity of promising peptides against Zika Virus NS3 protease?. Journal of Molecular Modeling, v. 30, n. 2, p. 1-19, 2024Tradução . . Disponível em: https://dx.doi.org/10.1007/s00894-024-05843-1. Acesso em: 08 nov. 2025.
APA
Savino, D. F., Silva, J. V. da, Santos, S. da S., Lourenço, F. R., & Giarolla, J. (2024). How do physicochemical properties contribute to inhibitory activity of promising peptides against Zika Virus NS3 protease? Journal of Molecular Modeling, 30( 2), 1-19. doi:10.1007/s00894-024-05843-1
NLM
Savino DF, Silva JV da, Santos S da S, Lourenço FR, Giarolla J. How do physicochemical properties contribute to inhibitory activity of promising peptides against Zika Virus NS3 protease? [Internet]. Journal of Molecular Modeling. 2024 ; 30( 2): 1-19.[citado 2025 nov. 08 ] Available from: https://dx.doi.org/10.1007/s00894-024-05843-1
Vancouver
Savino DF, Silva JV da, Santos S da S, Lourenço FR, Giarolla J. How do physicochemical properties contribute to inhibitory activity of promising peptides against Zika Virus NS3 protease? [Internet]. Journal of Molecular Modeling. 2024 ; 30( 2): 1-19.[citado 2025 nov. 08 ] Available from: https://dx.doi.org/10.1007/s00894-024-05843-1
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
Source: 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
Source: Journal of Molecular Modeling. Unidades: EACH, IQSC
Subjects: 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
Palladium(II)-catalyzed annulation of N-methoxy amides and arynes: computational mechanistic insights and substituents effects (2024)
Alves, Erick Henrique de Souza ; Oliveira, Daniel Arley Santos ; Braga, Ataualpa Albert Carmo
Source: Journal of Molecular Modeling. Unidade: IQ
Subjects: PALÁDIO, SÍNTESE ORGÂNICA
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ABNT
ALVES, Erick Henrique de Souza e OLIVEIRA, Daniel Arley Santos e BRAGA, Ataualpa Albert Carmo. Palladium(II)-catalyzed annulation of N-methoxy amides and arynes: computational mechanistic insights and substituents effects. Journal of Molecular Modeling, v. 30, p. 1-11 art. 152, 2024Tradução . . Disponível em: https://dx.doi.org/10.1007/s00894-024-05930-3. Acesso em: 08 nov. 2025.
APA
Alves, E. H. de S., Oliveira, D. A. S., & Braga, A. A. C. (2024). Palladium(II)-catalyzed annulation of N-methoxy amides and arynes: computational mechanistic insights and substituents effects. Journal of Molecular Modeling, 30, 1-11 art. 152. doi:10.1007/s00894-024-05930-3
NLM
Alves EH de S, Oliveira DAS, Braga AAC. Palladium(II)-catalyzed annulation of N-methoxy amides and arynes: computational mechanistic insights and substituents effects [Internet]. Journal of Molecular Modeling. 2024 ; 30 1-11 art. 152.[citado 2025 nov. 08 ] Available from: https://dx.doi.org/10.1007/s00894-024-05930-3
Vancouver
Alves EH de S, Oliveira DAS, Braga AAC. Palladium(II)-catalyzed annulation of N-methoxy amides and arynes: computational mechanistic insights and substituents effects [Internet]. Journal of Molecular Modeling. 2024 ; 30 1-11 art. 152.[citado 2025 nov. 08 ] Available from: https://dx.doi.org/10.1007/s00894-024-05930-3
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
Source: Journal of Molecular Modeling. Unidade: IQSC
Subjects: 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
Source: Journal of Molecular Modeling. Unidades: EACH, IQSC
Subjects: 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
Source: Journal of Molecular Modeling. Unidade: IQSC
Subjects: 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
Source: Journal of Molecular Modeling. Unidades: FCFRP, FFCLRP
Subjects: 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 reaction mechanism of the CO2 and cyclohexene oxide copolymerization catalyzed by zinc(II) and magnesium(II) catalysts: a DFT approach (2022)
Lima, Lucas Welington de ; Morais, Sara Figueirêdo de Alcântara ; Braga, Ataualpa Albert Carmo
Source: Journal of Molecular Modeling. Unidade: IQ
Subjects: CATALISADORES, ZINCO
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ABNT
LIMA, Lucas Welington de e MORAIS, Sara Figueirêdo de Alcântara e BRAGA, Ataualpa Albert Carmo. Understanding the reaction mechanism of the CO2 and cyclohexene oxide copolymerization catalyzed by zinc(II) and magnesium(II) catalysts: a DFT approach. Journal of Molecular Modeling, v. 28, p. 1-13 art. 314, 2022Tradução . . Disponível em: https://doi.org/10.21203/rs.3.rs-1713986/v1. Acesso em: 08 nov. 2025.
APA
Lima, L. W. de, Morais, S. F. de A., & Braga, A. A. C. (2022). Understanding the reaction mechanism of the CO2 and cyclohexene oxide copolymerization catalyzed by zinc(II) and magnesium(II) catalysts: a DFT approach. Journal of Molecular Modeling, 28, 1-13 art. 314. doi:10.21203/rs.3.rs-1713986/v1
NLM
Lima LW de, Morais SF de A, Braga AAC. Understanding the reaction mechanism of the CO2 and cyclohexene oxide copolymerization catalyzed by zinc(II) and magnesium(II) catalysts: a DFT approach [Internet]. Journal of Molecular Modeling. 2022 ; 28 1-13 art. 314.[citado 2025 nov. 08 ] Available from: https://doi.org/10.21203/rs.3.rs-1713986/v1
Vancouver
Lima LW de, Morais SF de A, Braga AAC. Understanding the reaction mechanism of the CO2 and cyclohexene oxide copolymerization catalyzed by zinc(II) and magnesium(II) catalysts: a DFT approach [Internet]. Journal of Molecular Modeling. 2022 ; 28 1-13 art. 314.[citado 2025 nov. 08 ] Available from: https://doi.org/10.21203/rs.3.rs-1713986/v1
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
Source: Journal of Molecular Modeling. Unidade: FFCLRP
Subjects: 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.
Source: Journal of Molecular Modeling. Conference titles: Symposium on Electronic Structure and Molecular Dynamics - SeedMol. Unidade: IFSC
Subjects: 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
Source: Journal of Molecular Modeling. Unidade: FFCLRP
Subjects: 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.
Source: Journal of Molecular Modeling. Unidade: IFSC
Subjects: 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
Characterization of the adipogenic protein E4orf1 from adenovirus 36 through an in silico approach (2020)
Gutiérrez, Alvaro; Ferreira, Glaucio Monteiro ; Machuca, Juan; Venthur, Herbert; Feres, Fausto; Hirata, Mario Hiroyuki ; Hirata, Rosario Dominguez Crespo ; Cerda, Alvaro
Source: Journal of Molecular Modeling. Unidade: FCF
Subjects: ADENOVÍRUS, OBESIDADE
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ABNT
GUTIÉRREZ, Alvaro et al. Characterization of the adipogenic protein E4orf1 from adenovirus 36 through an in silico approach. Journal of Molecular Modeling, v. 26, p. 1-9 art. 285, 2020Tradução . . Disponível em: https://doi.org/10.1007/s00894-020-04531-0. Acesso em: 08 nov. 2025.
APA
Gutiérrez, A., Ferreira, G. M., Machuca, J., Venthur, H., Feres, F., Hirata, M. H., et al. (2020). Characterization of the adipogenic protein E4orf1 from adenovirus 36 through an in silico approach. Journal of Molecular Modeling, 26, 1-9 art. 285. doi:10.1007/s00894-020-04531-0
NLM
Gutiérrez A, Ferreira GM, Machuca J, Venthur H, Feres F, Hirata MH, Hirata RDC, Cerda A. Characterization of the adipogenic protein E4orf1 from adenovirus 36 through an in silico approach [Internet]. Journal of Molecular Modeling. 2020 ; 26 1-9 art. 285.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1007/s00894-020-04531-0
Vancouver
Gutiérrez A, Ferreira GM, Machuca J, Venthur H, Feres F, Hirata MH, Hirata RDC, Cerda A. Characterization of the adipogenic protein E4orf1 from adenovirus 36 through an in silico approach [Internet]. Journal of Molecular Modeling. 2020 ; 26 1-9 art. 285.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1007/s00894-020-04531-0
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
Source: Journal of Molecular Modeling. Unidade: IQSC
Subjects: 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
Source: Journal of Molecular Modeling. Unidade: IQSC
Subjects: 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
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
Source: Journal of Molecular Modeling. Unidade: FFCLRP
Subjects: LIGAÇÕES QUÍMICAS, ESTRUTURA ELETRÔNICA, COMPUTAÇÃO APLICADA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
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
Source: Journal of Molecular Modeling. Unidade: FFCLRP
Subjects: TERMODINÂMICA (FÍSICO-QUÍMICA), SOLVATAÇÃO, ENERGIA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
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
Theoretical UV-Vis spectra of tetracationic porphyrin: effects of environment on electronic spectral properties (2019)
Suarez, Eduardo Diaz ; Lima, Filipe Camargo Dalmatti Alves de ; Dias, Patrícia Moura; Constantino, Vera Regina Leopoldo ; Petrilli, Helena Maria
Source: Journal of Molecular Modeling. Unidades: IQ, IF
Subjects: PORFIRINAS, ESPECTROSCOPIA ULTRAVIOLETA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
SUAREZ, Eduardo Diaz et al. Theoretical UV-Vis spectra of tetracationic porphyrin: effects of environment on electronic spectral properties. Journal of Molecular Modeling, v. 25, n. 9, p. 1-10, 2019Tradução . . Disponível em: https://doi.org/10.1007/s00894-019-4149-6. Acesso em: 08 nov. 2025.
APA
Suarez, E. D., Lima, F. C. D. A. de, Dias, P. M., Constantino, V. R. L., & Petrilli, H. M. (2019). Theoretical UV-Vis spectra of tetracationic porphyrin: effects of environment on electronic spectral properties. Journal of Molecular Modeling, 25( 9), 1-10. doi:10.1007/s00894-019-4149-6
NLM
Suarez ED, Lima FCDA de, Dias PM, Constantino VRL, Petrilli HM. Theoretical UV-Vis spectra of tetracationic porphyrin: effects of environment on electronic spectral properties [Internet]. Journal of Molecular Modeling. 2019 ; 25( 9): 1-10.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1007/s00894-019-4149-6
Vancouver
Suarez ED, Lima FCDA de, Dias PM, Constantino VRL, Petrilli HM. Theoretical UV-Vis spectra of tetracationic porphyrin: effects of environment on electronic spectral properties [Internet]. Journal of Molecular Modeling. 2019 ; 25( 9): 1-10.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1007/s00894-019-4149-6

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