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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: 29 maio 2024.
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 2024 maio 29 ] 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 2024 maio 29 ] Available from: https://dx.doi.org/10.1007/s00894-024-05843-1
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: 29 maio 2024.
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 2024 maio 29 ] 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 2024 maio 29 ] 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: 29 maio 2024.
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 2024 maio 29 ] 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 2024 maio 29 ] 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: 29 maio 2024.
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 2024 maio 29 ] 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 2024 maio 29 ] 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: 29 maio 2024.
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 2024 maio 29 ] 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 2024 maio 29 ] Available from: https://doi.org/10.1007/s00894-022-05207-7
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: 29 maio 2024.
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 2024 maio 29 ] 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 2024 maio 29 ] Available from: https://doi.org/10.21203/rs.3.rs-1713986/v1
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: 29 maio 2024.
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 2024 maio 29 ] 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 2024 maio 29 ] 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
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: 29 maio 2024.
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 2024 maio 29 ] 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 2024 maio 29 ] 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: 29 maio 2024. , 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 2024 maio 29 ] 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 2024 maio 29 ] Available from: https://doi.org/10.1007/s00894-021-04810-4
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: 29 maio 2024.
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 2024 maio 29 ] 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 2024 maio 29 ] 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: 29 maio 2024.
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 2024 maio 29 ] 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 2024 maio 29 ] 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
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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: 29 maio 2024.
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 2024 maio 29 ] 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 2024 maio 29 ] Available from: https://doi.org/10.1007/s00894-020-04538-7
Artigo de periodico
New inhibitors of homoserine dehydrogenase from Paracoccidioides brasiliensis presenting antifungal activity (2019)
Bueno, Paulo Sérgio Alves; Franciele Abigail Vilugron Rodrigues; Santos, Jessyka Lima; Canduri, Fernanda ; Biavatti, Débora Carina; Pimentel, Arethusa Lobo; Bagatin, Mariane Cristóvão; Kioshima, Érika Seki; Gauze, Gisele de Freitas; Seixas, Flavio Augusto Vicente
Source: Journal of Molecular Modeling. Unidade: IQSC
Subjects: FÁRMACOS, ANTIFÚNGICOS, MICOSES
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ABNT
BUENO, Paulo Sérgio Alves et al. New inhibitors of homoserine dehydrogenase from Paracoccidioides brasiliensis presenting antifungal activity. Journal of Molecular Modeling, v. 25, p. 325, 2019Tradução . . Disponível em: https://doi.org/10.1007/s00894-019-4221-2. Acesso em: 29 maio 2024.
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 2024 maio 29 ] 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 2024 maio 29 ] 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
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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: 29 maio 2024.
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 2024 maio 29 ] 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 2024 maio 29 ] 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: 29 maio 2024.
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 2024 maio 29 ] 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 2024 maio 29 ] 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: 29 maio 2024.
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 2024 maio 29 ] 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 2024 maio 29 ] Available from: https://doi.org/10.1007/s00894-019-4149-6
Artigo de periodico
Similarity search combined with docking and molecular dynamics for novel hAChE inhibitor scaffolds (2018)
Borges, Nádia Melo; Sartori, Geraldo Rodrigues; Ribeiro, Jean Francisco Rosa; Rocha, Josmar Rodrigues da; Martins, João Batista Lopes; Montanari, Carlos Alberto ; Gargano, Ricardo
Source: Journal of Molecular Modeling. Unidade: IQSC
Assunto: FÁRMACOS
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: 29 maio 2024.
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 2024 maio 29 ] 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 2024 maio 29 ] 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.
Source: Journal of Molecular Modeling. Unidades: FMRP, FCFRP
Subjects: 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: 29 maio 2024.
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 2024 maio 29 ] 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 2024 maio 29 ] Available from: https://doi.org/10.1007/s00894-018-3756-y
Artigo de periodico
Theoretical study of the NMR chemical shift of 'XE' in supercritical condition (2018)
Lacerda Jr., Evanildo G.; Sauer, Stephan P. A.; Mikkelsen, Kurt V.; Canuto, Sylvio Roberto Accioly; Coutinho, Kaline Rabelo
Source: Journal of Molecular Modeling. Unidade: IF
Subjects: ESTRUTURA ELETRÔNICA, ELETROSTÁTICA, NUCLEOSÍDEOS, CLUSTERS
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
LACERDA JR., Evanildo G. et al. Theoretical study of the NMR chemical shift of 'XE' in supercritical condition. Journal of Molecular Modeling, v. 24, n. 3, p. 62, 2018Tradução . . Disponível em: https://doi.org/10.1007/s00894-018-3600-4. Acesso em: 29 maio 2024.
APA
Lacerda Jr., E. G., Sauer, S. P. A., Mikkelsen, K. V., Canuto, S. R. A., & Coutinho, K. R. (2018). Theoretical study of the NMR chemical shift of 'XE' in supercritical condition. Journal of Molecular Modeling, 24( 3), 62. doi:10.1007/s00894-018-3600-4
NLM
Lacerda Jr. EG, Sauer SPA, Mikkelsen KV, Canuto SRA, Coutinho KR. Theoretical study of the NMR chemical shift of 'XE' in supercritical condition [Internet]. Journal of Molecular Modeling. 2018 ; 24( 3): 62.[citado 2024 maio 29 ] Available from: https://doi.org/10.1007/s00894-018-3600-4
Vancouver
Lacerda Jr. EG, Sauer SPA, Mikkelsen KV, Canuto SRA, Coutinho KR. Theoretical study of the NMR chemical shift of 'XE' in supercritical condition [Internet]. Journal of Molecular Modeling. 2018 ; 24( 3): 62.[citado 2024 maio 29 ] Available from: https://doi.org/10.1007/s00894-018-3600-4
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
Source: Journal of Molecular Modeling. Unidades: EACH, ICMC, IQSC
Subjects: 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: 29 maio 2024.
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 2024 maio 29 ] 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 2024 maio 29 ] Available from: https://doi.org/10.1007/s00894-017-3444-3

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