ReP USP - Resultado da busca

Artigo de periodico
Flexibility and hydration of the Qo site determine multiple pathways for proton transfer in cytochrome bc1 (2025)
Camilo, Sofia Rodrigues Guedes; Arantes, Guilherme Menegon
Source: Journal of Chemical Information and Modeling. Unidade: IQ
Subjects: BIOQUÍMICA INORGÂNICA, MOLÉCULA, PEPTÍDEOS, PROTEÍNAS
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ABNT
CAMILO, Sofia Rodrigues Guedes e ARANTES, Guilherme Menegon. Flexibility and hydration of the Qo site determine multiple pathways for proton transfer in cytochrome bc1. Journal of Chemical Information and Modeling, v. 65, n. 12, p. 6184-6197, 2025Tradução . . Disponível em: https://dx.doi.org/10.1021/acs.jcim.5c00655. Acesso em: 09 nov. 2025.
APA
Camilo, S. R. G., & Arantes, G. M. (2025). Flexibility and hydration of the Qo site determine multiple pathways for proton transfer in cytochrome bc1. Journal of Chemical Information and Modeling, 65( 12), 6184-6197. doi:10.1021/acs.jcim.5c00655
NLM
Camilo SRG, Arantes GM. Flexibility and hydration of the Qo site determine multiple pathways for proton transfer in cytochrome bc1 [Internet]. Journal of Chemical Information and Modeling. 2025 ; 65( 12): 6184-6197.[citado 2025 nov. 09 ] Available from: https://dx.doi.org/10.1021/acs.jcim.5c00655
Vancouver
Camilo SRG, Arantes GM. Flexibility and hydration of the Qo site determine multiple pathways for proton transfer in cytochrome bc1 [Internet]. Journal of Chemical Information and Modeling. 2025 ; 65( 12): 6184-6197.[citado 2025 nov. 09 ] Available from: https://dx.doi.org/10.1021/acs.jcim.5c00655
Artigo de periodico
Redox activated proton transfer through a redundant network in the Qo site of Cytochrome bc1 (2025)
Arantes, Guilherme Menegon
Source: Journal of Chemical Information and Modeling. Unidade: IQ
Subjects: MECÂNICA QUÂNTICA, OXIDAÇÃO, REDUÇÃO
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ABNT
ARANTES, Guilherme Menegon. Redox activated proton transfer through a redundant network in the Qo site of Cytochrome bc1. Journal of Chemical Information and Modeling, v. 65, n. 5, p. 2660−2669, 2025Tradução . . Disponível em: https://dx.doi.org/10.1021/acs.jcim.4c02361. Acesso em: 09 nov. 2025.
APA
Arantes, G. M. (2025). Redox activated proton transfer through a redundant network in the Qo site of Cytochrome bc1. Journal of Chemical Information and Modeling, 65( 5), 2660−2669. doi:10.1021/acs.jcim.4c02361
NLM
Arantes GM. Redox activated proton transfer through a redundant network in the Qo site of Cytochrome bc1 [Internet]. Journal of Chemical Information and Modeling. 2025 ; 65( 5): 2660−2669.[citado 2025 nov. 09 ] Available from: https://dx.doi.org/10.1021/acs.jcim.4c02361
Vancouver
Arantes GM. Redox activated proton transfer through a redundant network in the Qo site of Cytochrome bc1 [Internet]. Journal of Chemical Information and Modeling. 2025 ; 65( 5): 2660−2669.[citado 2025 nov. 09 ] Available from: https://dx.doi.org/10.1021/acs.jcim.4c02361
Artigo de periodico
Dissecting reaction mechanisms and catalytic contributions in Flavoprotein fumarate Reductases (2023)
Curtolo, Felipe ; Arantes, Guilherme Menegon
Source: Journal of Chemical Information and Modeling. Unidade: IQ
Subjects: PROTEÍNAS, PEPTÍDEOS
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ABNT
CURTOLO, Felipe e ARANTES, Guilherme Menegon. Dissecting reaction mechanisms and catalytic contributions in Flavoprotein fumarate Reductases. Journal of Chemical Information and Modeling, v. 63, p. 3510−3520, 2023Tradução . . Disponível em: https://doi.org/10.1021/acs.jcim.3c00292. Acesso em: 09 nov. 2025.
APA
Curtolo, F., & Arantes, G. M. (2023). Dissecting reaction mechanisms and catalytic contributions in Flavoprotein fumarate Reductases. Journal of Chemical Information and Modeling, 63, 3510−3520. doi:10.1021/acs.jcim.3c00292
NLM
Curtolo F, Arantes GM. Dissecting reaction mechanisms and catalytic contributions in Flavoprotein fumarate Reductases [Internet]. Journal of Chemical Information and Modeling. 2023 ; 63 3510−3520.[citado 2025 nov. 09 ] Available from: https://doi.org/10.1021/acs.jcim.3c00292
Vancouver
Curtolo F, Arantes GM. Dissecting reaction mechanisms and catalytic contributions in Flavoprotein fumarate Reductases [Internet]. Journal of Chemical Information and Modeling. 2023 ; 63 3510−3520.[citado 2025 nov. 09 ] Available from: https://doi.org/10.1021/acs.jcim.3c00292
Artigo de periodico
Tunneling and nonadiabatic effects on a proton-coupled electron transfer model for the Qo site in cytochrome bc1 (2021)
Camilo, Sofia Rodrigues Guedes; Curtolo, Felipe ; Galassi, Vanesa V; Arantes, Guilherme Menegon
Source: Journal of Chemical Information and Modeling. Unidade: IQ
Subjects: ELÉTRONS, PEPTÍDEOS, PROTEÍNAS
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ABNT
CAMILO, Sofia Rodrigues Guedes et al. Tunneling and nonadiabatic effects on a proton-coupled electron transfer model for the Qo site in cytochrome bc1. Journal of Chemical Information and Modeling, v. 61, p. 1840−1849, 2021Tradução . . Disponível em: https://doi.org/10.1021/acs.jcim.1c00008. Acesso em: 09 nov. 2025.
APA
Camilo, S. R. G., Curtolo, F., Galassi, V. V., & Arantes, G. M. (2021). Tunneling and nonadiabatic effects on a proton-coupled electron transfer model for the Qo site in cytochrome bc1. Journal of Chemical Information and Modeling, 61, 1840−1849. doi:10.1021/acs.jcim.1c00008
NLM
Camilo SRG, Curtolo F, Galassi VV, Arantes GM. Tunneling and nonadiabatic effects on a proton-coupled electron transfer model for the Qo site in cytochrome bc1 [Internet]. Journal of Chemical Information and Modeling. 2021 ; 61 1840−1849.[citado 2025 nov. 09 ] Available from: https://doi.org/10.1021/acs.jcim.1c00008
Vancouver
Camilo SRG, Curtolo F, Galassi VV, Arantes GM. Tunneling and nonadiabatic effects on a proton-coupled electron transfer model for the Qo site in cytochrome bc1 [Internet]. Journal of Chemical Information and Modeling. 2021 ; 61 1840−1849.[citado 2025 nov. 09 ] Available from: https://doi.org/10.1021/acs.jcim.1c00008
Artigo de periodico
Differences in gluco and galacto substrate-binding interactions in a dual 6Pβ-Glucosidase/6Pβ-Galactosidase glycoside hydrolase 1 enzyme from Bacillus licheniformis (2021)
Veldman, Wayde ; Liberato, Marcelo Vizoná; Souza, Valquiria P; Almeida, Vitor M; Marana, Sandro Roberto ; Bishop, Ozlem Tastan ; Polikarpov, Igor
Source: Journal of Chemical Information and Modeling. Unidades: IQ, IFSC
Subjects: CRISTALOGRAFIA, PEPTÍDEOS, PROTEÍNAS, LIGANTES
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ABNT
VELDMAN, Wayde et al. Differences in gluco and galacto substrate-binding interactions in a dual 6Pβ-Glucosidase/6Pβ-Galactosidase glycoside hydrolase 1 enzyme from Bacillus licheniformis. Journal of Chemical Information and Modeling, v. 61, n. 9, p. 4554-4570, 2021Tradução . . Disponível em: https://doi.org/10.1021/acs.jcim.1c00413. Acesso em: 09 nov. 2025.
APA
Veldman, W., Liberato, M. V., Souza, V. P., Almeida, V. M., Marana, S. R., Bishop, O. T., & Polikarpov, I. (2021). Differences in gluco and galacto substrate-binding interactions in a dual 6Pβ-Glucosidase/6Pβ-Galactosidase glycoside hydrolase 1 enzyme from Bacillus licheniformis. Journal of Chemical Information and Modeling, 61( 9), 4554-4570. doi:10.1021/acs.jcim.1c00413
NLM
Veldman W, Liberato MV, Souza VP, Almeida VM, Marana SR, Bishop OT, Polikarpov I. Differences in gluco and galacto substrate-binding interactions in a dual 6Pβ-Glucosidase/6Pβ-Galactosidase glycoside hydrolase 1 enzyme from Bacillus licheniformis [Internet]. Journal of Chemical Information and Modeling. 2021 ; 61( 9): 4554-4570.[citado 2025 nov. 09 ] Available from: https://doi.org/10.1021/acs.jcim.1c00413
Vancouver
Veldman W, Liberato MV, Souza VP, Almeida VM, Marana SR, Bishop OT, Polikarpov I. Differences in gluco and galacto substrate-binding interactions in a dual 6Pβ-Glucosidase/6Pβ-Galactosidase glycoside hydrolase 1 enzyme from Bacillus licheniformis [Internet]. Journal of Chemical Information and Modeling. 2021 ; 61( 9): 4554-4570.[citado 2025 nov. 09 ] Available from: https://doi.org/10.1021/acs.jcim.1c00413
Artigo de periodico
Integration of an inhibitor-like rule and structure-based virtual screening for the discovery of novel myeloperoxidase inhibitors (2020)
Matos, Isaac de Araújo; Costa Júnior, Nivan Bezerra da ; Meotti, Flavia Carla
Source: Journal of Chemical Information and Modeling. Unidade: IQ
Subjects: PEPTÍDEOS, PROTEÍNAS, BIOINFORMÁTICA, INIBIDORES DE ENZIMAS
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ABNT
MATOS, Isaac de Araújo e COSTA JÚNIOR, Nivan Bezerra da e MEOTTI, Flavia Carla. Integration of an inhibitor-like rule and structure-based virtual screening for the discovery of novel myeloperoxidase inhibitors. Journal of Chemical Information and Modeling, v. 60, p. 6408−6418, 2020Tradução . . Disponível em: https://doi.org/10.1021/acs.jcim.0c00813. Acesso em: 09 nov. 2025.
APA
Matos, I. de A., Costa Júnior, N. B. da, & Meotti, F. C. (2020). Integration of an inhibitor-like rule and structure-based virtual screening for the discovery of novel myeloperoxidase inhibitors. Journal of Chemical Information and Modeling, 60, 6408−6418. doi:10.1021/acs.jcim.0c00813
NLM
Matos I de A, Costa Júnior NB da, Meotti FC. Integration of an inhibitor-like rule and structure-based virtual screening for the discovery of novel myeloperoxidase inhibitors [Internet]. Journal of Chemical Information and Modeling. 2020 ; 60 6408−6418.[citado 2025 nov. 09 ] Available from: https://doi.org/10.1021/acs.jcim.0c00813
Vancouver
Matos I de A, Costa Júnior NB da, Meotti FC. Integration of an inhibitor-like rule and structure-based virtual screening for the discovery of novel myeloperoxidase inhibitors [Internet]. Journal of Chemical Information and Modeling. 2020 ; 60 6408−6418.[citado 2025 nov. 09 ] Available from: https://doi.org/10.1021/acs.jcim.0c00813
Artigo de periodico
Combining free energy simulations and NMR chemical-shift perturbation to identify transient cation−π contacts in proteins (2020)
Reis, André Anversa Oliveira; Sayegh, Raphael Santa Rosa ; Marana, Sandro Roberto ; Arantes, Guilherme Menegon
Source: Journal of Chemical Information and Modeling. Unidade: IQ
Subjects: RESSONÂNCIA MAGNÉTICA NUCLEAR, PROTEÍNAS
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ABNT
REIS, André Anversa Oliveira et al. Combining free energy simulations and NMR chemical-shift perturbation to identify transient cation−π contacts in proteins. Journal of Chemical Information and Modeling, v. 60, n. 2, p. 890–897, 2020Tradução . . Disponível em: https://doi.org/10.1021/acs.jcim.9b00859. Acesso em: 09 nov. 2025.
APA
Reis, A. A. O., Sayegh, R. S. R., Marana, S. R., & Arantes, G. M. (2020). Combining free energy simulations and NMR chemical-shift perturbation to identify transient cation−π contacts in proteins. Journal of Chemical Information and Modeling, 60( 2), 890–897. doi:10.1021/acs.jcim.9b00859
NLM
Reis AAO, Sayegh RSR, Marana SR, Arantes GM. Combining free energy simulations and NMR chemical-shift perturbation to identify transient cation−π contacts in proteins [Internet]. Journal of Chemical Information and Modeling. 2020 ; 60( 2): 890–897.[citado 2025 nov. 09 ] Available from: https://doi.org/10.1021/acs.jcim.9b00859
Vancouver
Reis AAO, Sayegh RSR, Marana SR, Arantes GM. Combining free energy simulations and NMR chemical-shift perturbation to identify transient cation−π contacts in proteins [Internet]. Journal of Chemical Information and Modeling. 2020 ; 60( 2): 890–897.[citado 2025 nov. 09 ] Available from: https://doi.org/10.1021/acs.jcim.9b00859
Artigo de periodico
X-ray structure, bioinformatics analysis, and substrate specificity of a 6-phospho-β-glucosidase glycoside hydrolase 1 enzyme from Bacillus licheniformis (2020)
Veldman, Wayde ; Liberato, Marcelo Vizoná; Almeida, Vitor Medeiros ; Souza, Valquiria P; Frutuoso, Maira Artischeff; Marana, Sandro Roberto ; Moses, Vuyani; Bishop, Ozlem Tastan ; Polikarpov, Igor
Source: Journal of Chemical Information and Modeling. Unidades: IQ, IFSC, FO
Subjects: RAIOS X, BIOINFORMÁTICA
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ABNT
VELDMAN, Wayde et al. X-ray structure, bioinformatics analysis, and substrate specificity of a 6-phospho-β-glucosidase glycoside hydrolase 1 enzyme from Bacillus licheniformis. Journal of Chemical Information and Modeling, v. 60, n. 12, p. 6392-6407, 2020Tradução . . Disponível em: https://doi.org/10.1021/acs.jcim.0c00759. Acesso em: 09 nov. 2025.
APA
Veldman, W., Liberato, M. V., Almeida, V. M., Souza, V. P., Frutuoso, M. A., Marana, S. R., et al. (2020). X-ray structure, bioinformatics analysis, and substrate specificity of a 6-phospho-β-glucosidase glycoside hydrolase 1 enzyme from Bacillus licheniformis. Journal of Chemical Information and Modeling, 60( 12), 6392-6407. doi:10.1021/acs.jcim.0c00759
NLM
Veldman W, Liberato MV, Almeida VM, Souza VP, Frutuoso MA, Marana SR, Moses V, Bishop OT, Polikarpov I. X-ray structure, bioinformatics analysis, and substrate specificity of a 6-phospho-β-glucosidase glycoside hydrolase 1 enzyme from Bacillus licheniformis [Internet]. Journal of Chemical Information and Modeling. 2020 ; 60( 12): 6392-6407.[citado 2025 nov. 09 ] Available from: https://doi.org/10.1021/acs.jcim.0c00759
Vancouver
Veldman W, Liberato MV, Almeida VM, Souza VP, Frutuoso MA, Marana SR, Moses V, Bishop OT, Polikarpov I. X-ray structure, bioinformatics analysis, and substrate specificity of a 6-phospho-β-glucosidase glycoside hydrolase 1 enzyme from Bacillus licheniformis [Internet]. Journal of Chemical Information and Modeling. 2020 ; 60( 12): 6392-6407.[citado 2025 nov. 09 ] Available from: https://doi.org/10.1021/acs.jcim.0c00759
Artigo de periodico
Mechanisms for Flavin-mediated oxidation: hydride or hydrogen-atom transfer? (2020)
Curtolo, Felipe ; Arantes, Guilherme Menegon
Source: Journal of Chemical Information and Modeling. Unidade: IQ
Subjects: ÁTOMOS DE HIDROGÊNIO, OXIDAÇÃO
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ABNT
CURTOLO, Felipe e ARANTES, Guilherme Menegon. Mechanisms for Flavin-mediated oxidation: hydride or hydrogen-atom transfer?. Journal of Chemical Information and Modeling, v. 60, n. 12, p. 6282–6287, 2020Tradução . . Disponível em: https://doi.org/10.1021/acs.jcim.0c00945. Acesso em: 09 nov. 2025.
APA
Curtolo, F., & Arantes, G. M. (2020). Mechanisms for Flavin-mediated oxidation: hydride or hydrogen-atom transfer? Journal of Chemical Information and Modeling, 60( 12), 6282–6287. doi:10.1021/acs.jcim.0c00945
NLM
Curtolo F, Arantes GM. Mechanisms for Flavin-mediated oxidation: hydride or hydrogen-atom transfer? [Internet]. Journal of Chemical Information and Modeling. 2020 ; 60( 12): 6282–6287.[citado 2025 nov. 09 ] Available from: https://doi.org/10.1021/acs.jcim.0c00945
Vancouver
Curtolo F, Arantes GM. Mechanisms for Flavin-mediated oxidation: hydride or hydrogen-atom transfer? [Internet]. Journal of Chemical Information and Modeling. 2020 ; 60( 12): 6282–6287.[citado 2025 nov. 09 ] Available from: https://doi.org/10.1021/acs.jcim.0c00945
Artigo de periodico
Dehydration determines hydrotropic ion affinity for zwitterionic micelles (2020)
Mortara, Laura; Chaimovich Guralnik, Hernan ; Cuccovia, Iolanda Midea ; Horinek, Dominik; Lima, Filipe S
Source: Journal of Chemical Information and Modeling. Unidade: IQ
Subjects: ÍONS, SAIS
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ABNT
MORTARA, Laura et al. Dehydration determines hydrotropic ion affinity for zwitterionic micelles. Journal of Chemical Information and Modeling, v. 60, p. 604−610, 2020Tradução . . Disponível em: https://doi.org/10.1021/acs.jcim.9b00870. Acesso em: 09 nov. 2025.
APA
Mortara, L., Chaimovich Guralnik, H., Cuccovia, I. M., Horinek, D., & Lima, F. S. (2020). Dehydration determines hydrotropic ion affinity for zwitterionic micelles. Journal of Chemical Information and Modeling, 60, 604−610. doi:10.1021/acs.jcim.9b00870
NLM
Mortara L, Chaimovich Guralnik H, Cuccovia IM, Horinek D, Lima FS. Dehydration determines hydrotropic ion affinity for zwitterionic micelles [Internet]. Journal of Chemical Information and Modeling. 2020 ; 60 604−610.[citado 2025 nov. 09 ] Available from: https://doi.org/10.1021/acs.jcim.9b00870
Vancouver
Mortara L, Chaimovich Guralnik H, Cuccovia IM, Horinek D, Lima FS. Dehydration determines hydrotropic ion affinity for zwitterionic micelles [Internet]. Journal of Chemical Information and Modeling. 2020 ; 60 604−610.[citado 2025 nov. 09 ] Available from: https://doi.org/10.1021/acs.jcim.9b00870
Artigo de periodico
Virtual screening approach for the identification of hydroxamic acids as novel human ecto-5'-nucleotidase inhibitors (2020)
Viviani, Lucas Gasparello ; Piccirillo, Erika ; Ulrich, Henning ; Amaral, Antonia Tavares do
Source: Journal of Chemical Information and Modeling. Unidade: IQ
Subjects: ANTICORPOS, IMUNIDADE, INIBIDORES DE ENZIMAS
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ABNT
VIVIANI, Lucas Gasparello et al. Virtual screening approach for the identification of hydroxamic acids as novel human ecto-5'-nucleotidase inhibitors. Journal of Chemical Information and Modeling, v. 60, n. 2, p. 621-630, 2020Tradução . . Disponível em: https://doi.org/10.1021/acs.jcim.9b00884. Acesso em: 09 nov. 2025.
APA
Viviani, L. G., Piccirillo, E., Ulrich, H., & Amaral, A. T. do. (2020). Virtual screening approach for the identification of hydroxamic acids as novel human ecto-5'-nucleotidase inhibitors. Journal of Chemical Information and Modeling, 60( 2), 621-630. doi:10.1021/acs.jcim.9b00884
NLM
Viviani LG, Piccirillo E, Ulrich H, Amaral AT do. Virtual screening approach for the identification of hydroxamic acids as novel human ecto-5'-nucleotidase inhibitors [Internet]. Journal of Chemical Information and Modeling. 2020 ; 60( 2): 621-630.[citado 2025 nov. 09 ] Available from: https://doi.org/10.1021/acs.jcim.9b00884
Vancouver
Viviani LG, Piccirillo E, Ulrich H, Amaral AT do. Virtual screening approach for the identification of hydroxamic acids as novel human ecto-5'-nucleotidase inhibitors [Internet]. Journal of Chemical Information and Modeling. 2020 ; 60( 2): 621-630.[citado 2025 nov. 09 ] Available from: https://doi.org/10.1021/acs.jcim.9b00884
Artigo de periodico
Modeling the hydrolysis of iron–sulfur clusters (2020)
Teixeira, Murilo Hoias ; Curtolo, Felipe ; Camilo, Sofia Rodrigues Guedes; Field, Martin J; Zheng, Peng; Li, Hongbin; Arantes, Guilherme Menegon
Source: Journal of Chemical Information and Modeling. Unidade: IQ
Subjects: HIDRÓLISE, FERRO, ENXOFRE
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ABNT
TEIXEIRA, Murilo Hoias et al. Modeling the hydrolysis of iron–sulfur clusters. Journal of Chemical Information and Modeling, v. 60, p. 653−660, 2020Tradução . . Disponível em: https://doi.org/10.1021/acs.jcim.9b00881. Acesso em: 09 nov. 2025.
APA
Teixeira, M. H., Curtolo, F., Camilo, S. R. G., Field, M. J., Zheng, P., Li, H., & Arantes, G. M. (2020). Modeling the hydrolysis of iron–sulfur clusters. Journal of Chemical Information and Modeling, 60, 653−660. doi:10.1021/acs.jcim.9b00881
NLM
Teixeira MH, Curtolo F, Camilo SRG, Field MJ, Zheng P, Li H, Arantes GM. Modeling the hydrolysis of iron–sulfur clusters [Internet]. Journal of Chemical Information and Modeling. 2020 ; 60 653−660.[citado 2025 nov. 09 ] Available from: https://doi.org/10.1021/acs.jcim.9b00881
Vancouver
Teixeira MH, Curtolo F, Camilo SRG, Field MJ, Zheng P, Li H, Arantes GM. Modeling the hydrolysis of iron–sulfur clusters [Internet]. Journal of Chemical Information and Modeling. 2020 ; 60 653−660.[citado 2025 nov. 09 ] Available from: https://doi.org/10.1021/acs.jcim.9b00881

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