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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
Fonte: Journal of Chemical Information and Modeling. Unidade: IQ
Assuntos: 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
Fonte: Journal of Chemical Information and Modeling. Unidade: IQ
Assuntos: RESSONÂNCIA MAGNÉTICA NUCLEAR, PROTEÍNAS
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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
Making soup: preparing and validating models of the bacterial cytoplasm for molecular simulation (2020)
Bortot, Leandro Oliveira; Bashardanesh, Zahedeh; van der Spoel, David
Fonte: Journal of Chemical Information and Modeling. Unidade: FCFRP
Assuntos: CITOPLASMA, RNA, ESCHERICHIA COLI
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BORTOT, Leandro Oliveira e BASHARDANESH, Zahedeh e VAN DER SPOEL, David. Making soup: preparing and validating models of the bacterial cytoplasm for molecular simulation. Journal of Chemical Information and Modeling, v. 60, n. 1, p. 322-331, 2020Tradução . . Disponível em: https://doi.org/10.1021/acs.jcim.9b00971. Acesso em: 09 nov. 2025.
APA
Bortot, L. O., Bashardanesh, Z., & van der Spoel, D. (2020). Making soup: preparing and validating models of the bacterial cytoplasm for molecular simulation. Journal of Chemical Information and Modeling, 60( 1), 322-331. doi:10.1021/acs.jcim.9b00971
NLM
Bortot LO, Bashardanesh Z, van der Spoel D. Making soup: preparing and validating models of the bacterial cytoplasm for molecular simulation [Internet]. Journal of Chemical Information and Modeling. 2020 ;60( 1): 322-331.[citado 2025 nov. 09 ] Available from: https://doi.org/10.1021/acs.jcim.9b00971
Vancouver
Bortot LO, Bashardanesh Z, van der Spoel D. Making soup: preparing and validating models of the bacterial cytoplasm for molecular simulation [Internet]. Journal of Chemical Information and Modeling. 2020 ;60( 1): 322-331.[citado 2025 nov. 09 ] Available from: https://doi.org/10.1021/acs.jcim.9b00971
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
Fonte: Journal of Chemical Information and Modeling. Unidades: IQ, IFSC, FO
Assuntos: 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
Fonte: Journal of Chemical Information and Modeling. Unidade: IQ
Assuntos: ÁTOMOS DE HIDROGÊNIO, OXIDAÇÃO
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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
Fonte: Journal of Chemical Information and Modeling. Unidade: IQ
Assuntos: 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
Evaluating QM/MM Free Energy Surfaces for Ranking Cysteine Protease Covalent Inhibitors (2020)
Costa, Clauber H. S; Bonatto, Vinícius ; Santos, Alberto M. dos; Lameira, Jerônimo ; Leitão, Andrei ; Montanari, Carlos Alberto
Fonte: Journal of Chemical Information and Modeling. Unidade: IQSC
Assunto: QUÍMICA MÉDICA
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ABNT
COSTA, Clauber H. S et al. Evaluating QM/MM Free Energy Surfaces for Ranking Cysteine Protease Covalent Inhibitors. Journal of Chemical Information and Modeling, p. 880-889, 2020Tradução . . Disponível em: https://doi.org/10.1021/acs.jcim.9b00847. Acesso em: 09 nov. 2025.
APA
Costa, C. H. S., Bonatto, V., Santos, A. M. dos, Lameira, J., Leitão, A., & Montanari, C. A. (2020). Evaluating QM/MM Free Energy Surfaces for Ranking Cysteine Protease Covalent Inhibitors. Journal of Chemical Information and Modeling, 880-889. doi:10.1021/acs.jcim.9b00847
NLM
Costa CHS, Bonatto V, Santos AM dos, Lameira J, Leitão A, Montanari CA. Evaluating QM/MM Free Energy Surfaces for Ranking Cysteine Protease Covalent Inhibitors [Internet]. Journal of Chemical Information and Modeling. 2020 ; 880-889.[citado 2025 nov. 09 ] Available from: https://doi.org/10.1021/acs.jcim.9b00847
Vancouver
Costa CHS, Bonatto V, Santos AM dos, Lameira J, Leitão A, Montanari CA. Evaluating QM/MM Free Energy Surfaces for Ranking Cysteine Protease Covalent Inhibitors [Internet]. Journal of Chemical Information and Modeling. 2020 ; 880-889.[citado 2025 nov. 09 ] Available from: https://doi.org/10.1021/acs.jcim.9b00847
Artigo de periodico
Unraveling the Electric Field-Induced Second Harmonic Generation Responses of Stilbazolium Ion Pairs Complexes in Solution Using a Multiscale Simulation Method (2020)
Ramos, Tárcius ; Canuto, Sylvio Roberto Accioly ; Champagne, Benoît
Fonte: Journal of Chemical Information and Modeling. Unidade: IF
Assuntos: FÍSICO-QUÍMICA, ÍONS ELETRÔNICOS, ÓPTICA NÃO LINEAR, MECÂNICA QUÂNTICA
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RAMOS, Tárcius e CANUTO, Sylvio Roberto Accioly e CHAMPAGNE, Benoît. Unraveling the Electric Field-Induced Second Harmonic Generation Responses of Stilbazolium Ion Pairs Complexes in Solution Using a Multiscale Simulation Method. Journal of Chemical Information and Modeling, v. 60, n. 10, p. 4817–4826, 2020Tradução . . Disponível em: https://doi.org/10.1021/acs.jcim.9b01161. Acesso em: 09 nov. 2025.
APA
Ramos, T., Canuto, S. R. A., & Champagne, B. (2020). Unraveling the Electric Field-Induced Second Harmonic Generation Responses of Stilbazolium Ion Pairs Complexes in Solution Using a Multiscale Simulation Method. Journal of Chemical Information and Modeling, 60( 10), 4817–4826. doi:10.1021/acs.jcim.9b01161
NLM
Ramos T, Canuto SRA, Champagne B. Unraveling the Electric Field-Induced Second Harmonic Generation Responses of Stilbazolium Ion Pairs Complexes in Solution Using a Multiscale Simulation Method [Internet]. Journal of Chemical Information and Modeling. 2020 ; 60( 10): 4817–4826.[citado 2025 nov. 09 ] Available from: https://doi.org/10.1021/acs.jcim.9b01161
Vancouver
Ramos T, Canuto SRA, Champagne B. Unraveling the Electric Field-Induced Second Harmonic Generation Responses of Stilbazolium Ion Pairs Complexes in Solution Using a Multiscale Simulation Method [Internet]. Journal of Chemical Information and Modeling. 2020 ; 60( 10): 4817–4826.[citado 2025 nov. 09 ] Available from: https://doi.org/10.1021/acs.jcim.9b01161
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
Fonte: Journal of Chemical Information and Modeling. Unidade: IQ
Assuntos: 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
Molecular dynamics simulations of polymer–ionic liquid (1-ethyl-3-methylimidazolium tetracyanoborate) ternary electrolyte for sodium and potassium ion batteries (2020)
Souza, Rafael Maglia de ; Siqueira, Leonardo José Amaral de; Karttunen, Mikko; Dias, Luis Gustavo
Fonte: Journal of Chemical Information and Modeling. Unidade: FFCLRP
Assuntos: BATERIAS ELÉTRICAS, ENERGIA ELÉTRICA, SÓDIO, POTÁSSIO, ELETROQUÍMICA, SOLUÇÕES ELETROLÍTICAS
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ABNT
SOUZA, Rafael Maglia de et al. Molecular dynamics simulations of polymer–ionic liquid (1-ethyl-3-methylimidazolium tetracyanoborate) ternary electrolyte for sodium and potassium ion batteries. Journal of Chemical Information and Modeling, v. 60, n. 2, p. 485-499, 2020Tradução . . Disponível em: https://doi.org/10.1021/acs.jcim.9b00750. Acesso em: 09 nov. 2025.
APA
Souza, R. M. de, Siqueira, L. J. A. de, Karttunen, M., & Dias, L. G. (2020). Molecular dynamics simulations of polymer–ionic liquid (1-ethyl-3-methylimidazolium tetracyanoborate) ternary electrolyte for sodium and potassium ion batteries. Journal of Chemical Information and Modeling, 60( 2), 485-499. doi:10.1021/acs.jcim.9b00750
NLM
Souza RM de, Siqueira LJA de, Karttunen M, Dias LG. Molecular dynamics simulations of polymer–ionic liquid (1-ethyl-3-methylimidazolium tetracyanoborate) ternary electrolyte for sodium and potassium ion batteries [Internet]. Journal of Chemical Information and Modeling. 2020 ; 60( 2): 485-499.[citado 2025 nov. 09 ] Available from: https://doi.org/10.1021/acs.jcim.9b00750
Vancouver
Souza RM de, Siqueira LJA de, Karttunen M, Dias LG. Molecular dynamics simulations of polymer–ionic liquid (1-ethyl-3-methylimidazolium tetracyanoborate) ternary electrolyte for sodium and potassium ion batteries [Internet]. Journal of Chemical Information and Modeling. 2020 ; 60( 2): 485-499.[citado 2025 nov. 09 ] Available from: https://doi.org/10.1021/acs.jcim.9b00750
Artigo de periodico
In silico infrared characterization of synthetic cannabinoids by quantum chemistry and chemometrics (2020)
Castro, Jade Simões de; Rodrigues, Caio Henrique Pinke ; Bruni, Aline Thaís
Fonte: Journal of Chemical Information and Modeling. Unidade: FFCLRP
Assuntos: CANABINOIDES, SIMULAÇÃO, TRANSTORNOS RELACIONADOS AO USO DE SUBSTÂNCIAS
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CASTRO, Jade Simões de e RODRIGUES, Caio Henrique Pinke e BRUNI, Aline Thaís. In silico infrared characterization of synthetic cannabinoids by quantum chemistry and chemometrics. Journal of Chemical Information and Modeling, v. 60, n. 4, p. 2100-2114, 2020Tradução . . Disponível em: https://doi.org/10.1021/acs.jcim.9b00871. Acesso em: 09 nov. 2025.
APA
Castro, J. S. de, Rodrigues, C. H. P., & Bruni, A. T. (2020). In silico infrared characterization of synthetic cannabinoids by quantum chemistry and chemometrics. Journal of Chemical Information and Modeling, 60( 4), 2100-2114. doi:10.1021/acs.jcim.9b00871
NLM
Castro JS de, Rodrigues CHP, Bruni AT. In silico infrared characterization of synthetic cannabinoids by quantum chemistry and chemometrics [Internet]. Journal of Chemical Information and Modeling. 2020 ; 60( 4): 2100-2114.[citado 2025 nov. 09 ] Available from: https://doi.org/10.1021/acs.jcim.9b00871
Vancouver
Castro JS de, Rodrigues CHP, Bruni AT. In silico infrared characterization of synthetic cannabinoids by quantum chemistry and chemometrics [Internet]. Journal of Chemical Information and Modeling. 2020 ; 60( 4): 2100-2114.[citado 2025 nov. 09 ] Available from: https://doi.org/10.1021/acs.jcim.9b00871
Artigo de periodico
Assessment of the Cruzain Cysteine Protease Reversible and Irreversible Covalent Inhibition Mechanism (2020)
Silva, JoséRogerio A.; Cianni, Lorenzo ; Araujo, Deborah; Batista, Pedro Henrique Jatai; Vita, Daniela de; Rosini, Fabiana; Leitão, Andrei ; Lameira, Jerônimo ; Montanari, Carlos Alberto
Fonte: Journal of Chemical Information and Modeling. Unidade: IQSC
Assunto: DOENÇA DE CHAGAS
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ABNT
SILVA, JoséRogerio A. et al. Assessment of the Cruzain Cysteine Protease Reversible and Irreversible Covalent Inhibition Mechanism. Journal of Chemical Information and Modeling, v. 60, n. 3, p. 1666-1677, 2020Tradução . . Disponível em: https://doi.org/10.1021/acs.jcim.9b01138. Acesso em: 09 nov. 2025.
APA
Silva, J. R. A., Cianni, L., Araujo, D., Batista, P. H. J., Vita, D. de, Rosini, F., et al. (2020). Assessment of the Cruzain Cysteine Protease Reversible and Irreversible Covalent Inhibition Mechanism. Journal of Chemical Information and Modeling, 60( 3), 1666-1677. doi:10.1021/acs.jcim.9b01138
NLM
Silva JRA, Cianni L, Araujo D, Batista PHJ, Vita D de, Rosini F, Leitão A, Lameira J, Montanari CA. Assessment of the Cruzain Cysteine Protease Reversible and Irreversible Covalent Inhibition Mechanism [Internet]. Journal of Chemical Information and Modeling. 2020 ; 60( 3): 1666-1677.[citado 2025 nov. 09 ] Available from: https://doi.org/10.1021/acs.jcim.9b01138
Vancouver
Silva JRA, Cianni L, Araujo D, Batista PHJ, Vita D de, Rosini F, Leitão A, Lameira J, Montanari CA. Assessment of the Cruzain Cysteine Protease Reversible and Irreversible Covalent Inhibition Mechanism [Internet]. Journal of Chemical Information and Modeling. 2020 ; 60( 3): 1666-1677.[citado 2025 nov. 09 ] Available from: https://doi.org/10.1021/acs.jcim.9b01138
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
Fonte: Journal of Chemical Information and Modeling. Unidade: IQ
Assuntos: 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
Artigo de periodico
Combined experimental and molecular simulation study of insulin–chitosan complexation driven by electrostatic interactions (2020)
Prudkin-Silva, Cecilia; Pérez, Oscar E.; Martínez, Karina D.; Silva, Fernando Luís Barroso da
Fonte: Journal of Chemical Information and Modeling. Unidade: FCFRP
Assuntos: BIOMATERIAIS, MÉTODO DE MONTE CARLO, INSULINA, QUITOSANA, ELETROSTÁTICA, MACROMOLÉCULA
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ABNT
PRUDKIN-SILVA, Cecilia et al. Combined experimental and molecular simulation study of insulin–chitosan complexation driven by electrostatic interactions. Journal of Chemical Information and Modeling, v. 60, n. 2, p. 854-865, 2020Tradução . . Disponível em: https://doi.org/10.1021/acs.jcim.9b00814. Acesso em: 09 nov. 2025.
APA
Prudkin-Silva, C., Pérez, O. E., Martínez, K. D., & Silva, F. L. B. da. (2020). Combined experimental and molecular simulation study of insulin–chitosan complexation driven by electrostatic interactions. Journal of Chemical Information and Modeling, 60( 2), 854-865. doi:10.1021/acs.jcim.9b00814
NLM
Prudkin-Silva C, Pérez OE, Martínez KD, Silva FLB da. Combined experimental and molecular simulation study of insulin–chitosan complexation driven by electrostatic interactions [Internet]. Journal of Chemical Information and Modeling. 2020 ; 60( 2): 854-865.[citado 2025 nov. 09 ] Available from: https://doi.org/10.1021/acs.jcim.9b00814
Vancouver
Prudkin-Silva C, Pérez OE, Martínez KD, Silva FLB da. Combined experimental and molecular simulation study of insulin–chitosan complexation driven by electrostatic interactions [Internet]. Journal of Chemical Information and Modeling. 2020 ; 60( 2): 854-865.[citado 2025 nov. 09 ] Available from: https://doi.org/10.1021/acs.jcim.9b00814
Artigo de periodico
Ab Initio Investigation of CO2 Adsorption on 13-Atom 4d Clusters (2020)
Batista, Krys Elly de Araújo ; Restrepo, Vivianne k ; Soares, Marinalva Dias ; Quiles, Marcos Gonçalves ; Piotrowski, Maurício Jeomar ; Silva, Juarez Lopes Ferreira da
Fonte: Journal of Chemical Information and Modeling. Unidade: IQSC
Assunto: CLUSTERS
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ABNT
BATISTA, Krys Elly de Araújo et al. Ab Initio Investigation of CO2 Adsorption on 13-Atom 4d Clusters. Journal of Chemical Information and Modeling, v. 60, p. 537-545, 2020Tradução . . Disponível em: https://doi.org/10.1021/acs.jcim.9b00792. Acesso em: 09 nov. 2025.
APA
Batista, K. E. de A., Restrepo, V. k, Soares, M. D., Quiles, M. G., Piotrowski, M. J., & Silva, J. L. F. da. (2020). Ab Initio Investigation of CO2 Adsorption on 13-Atom 4d Clusters. Journal of Chemical Information and Modeling, 60, 537-545. doi:10.1021/acs.jcim.9b00792
NLM
Batista KE de A, Restrepo V k, Soares MD, Quiles MG, Piotrowski MJ, Silva JLF da. Ab Initio Investigation of CO2 Adsorption on 13-Atom 4d Clusters [Internet]. Journal of Chemical Information and Modeling. 2020 ; 60 537-545.[citado 2025 nov. 09 ] Available from: https://doi.org/10.1021/acs.jcim.9b00792
Vancouver
Batista KE de A, Restrepo V k, Soares MD, Quiles MG, Piotrowski MJ, Silva JLF da. Ab Initio Investigation of CO2 Adsorption on 13-Atom 4d Clusters [Internet]. Journal of Chemical Information and Modeling. 2020 ; 60 537-545.[citado 2025 nov. 09 ] Available from: https://doi.org/10.1021/acs.jcim.9b00792
Artigo de periodico
Self-assembly of phosphocholine derivatives using the ELBA coarse-grained model: micelles, bicelles, and reverse micelles (2020)
Souza, Rafael Maglia de ; Ratochinski, Rafael Henrique; Karttunen, Mikko; Dias, Luis Gustavo
Fonte: Journal of Chemical Information and Modeling. Unidade: FFCLRP
Assuntos: LIPÍDEOS, ELETROSTÁTICA, MOLÉCULA, QUÍMICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
SOUZA, Rafael Maglia de et al. Self-assembly of phosphocholine derivatives using the ELBA coarse-grained model: micelles, bicelles, and reverse micelles. Journal of Chemical Information and Modeling, v. 60, n. 2, p. 522-536, 2020Tradução . . Disponível em: https://doi.org/10.1021/acs.jcim.9b00790. Acesso em: 09 nov. 2025.
APA
Souza, R. M. de, Ratochinski, R. H., Karttunen, M., & Dias, L. G. (2020). Self-assembly of phosphocholine derivatives using the ELBA coarse-grained model: micelles, bicelles, and reverse micelles. Journal of Chemical Information and Modeling, 60( 2), 522-536. doi:10.1021/acs.jcim.9b00790
NLM
Souza RM de, Ratochinski RH, Karttunen M, Dias LG. Self-assembly of phosphocholine derivatives using the ELBA coarse-grained model: micelles, bicelles, and reverse micelles [Internet]. Journal of Chemical Information and Modeling. 2020 ; 60( 2): 522-536.[citado 2025 nov. 09 ] Available from: https://doi.org/10.1021/acs.jcim.9b00790
Vancouver
Souza RM de, Ratochinski RH, Karttunen M, Dias LG. Self-assembly of phosphocholine derivatives using the ELBA coarse-grained model: micelles, bicelles, and reverse micelles [Internet]. Journal of Chemical Information and Modeling. 2020 ; 60( 2): 522-536.[citado 2025 nov. 09 ] Available from: https://doi.org/10.1021/acs.jcim.9b00790
Artigo de periodico
Discovery of potent, reversible, and competitive cruzain inhibitors with trypanocidal activity: a structure-based drug design approach (2020)
Souza, Mariana Laureano de; Rezende Junior, Celso de Oliveira; Ferreira, Rafaela S. ; Chávez, Rocio Marisol Espinoza; Ferreira, Leonardo Luiz Gomes ; Slafer, Brian W.; Magalhães, Luma Godoy; Andricopulo, Renata Krogh; Oliva, Glaucius ; Cruz, Fabio Cardoso; Dias, Luiz Carlos; Andricopulo, Adriano Defini
Fonte: Journal of Chemical Information and Modeling. Unidade: IFSC
Assuntos: TRIPANOSSOMICIDAS, PLANEJAMENTO DE FÁRMACOS, INIBIDORES QUÍMICOS
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
SOUZA, Mariana Laureano de et al. Discovery of potent, reversible, and competitive cruzain inhibitors with trypanocidal activity: a structure-based drug design approach. Journal of Chemical Information and Modeling, v. 60, n. 2, p. 1028-1041, 2020Tradução . . Disponível em: https://doi.org/10.1021/acs.jcim.9b00802. Acesso em: 09 nov. 2025.
APA
Souza, M. L. de, Rezende Junior, C. de O., Ferreira, R. S., Chávez, R. M. E., Ferreira, L. L. G., Slafer, B. W., et al. (2020). Discovery of potent, reversible, and competitive cruzain inhibitors with trypanocidal activity: a structure-based drug design approach. Journal of Chemical Information and Modeling, 60( 2), 1028-1041. doi:10.1021/acs.jcim.9b00802
NLM
Souza ML de, Rezende Junior C de O, Ferreira RS, Chávez RME, Ferreira LLG, Slafer BW, Magalhães LG, Andricopulo RK, Oliva G, Cruz FC, Dias LC, Andricopulo AD. Discovery of potent, reversible, and competitive cruzain inhibitors with trypanocidal activity: a structure-based drug design approach [Internet]. Journal of Chemical Information and Modeling. 2020 ; 60( 2): 1028-1041.[citado 2025 nov. 09 ] Available from: https://doi.org/10.1021/acs.jcim.9b00802
Vancouver
Souza ML de, Rezende Junior C de O, Ferreira RS, Chávez RME, Ferreira LLG, Slafer BW, Magalhães LG, Andricopulo RK, Oliva G, Cruz FC, Dias LC, Andricopulo AD. Discovery of potent, reversible, and competitive cruzain inhibitors with trypanocidal activity: a structure-based drug design approach [Internet]. Journal of Chemical Information and Modeling. 2020 ; 60( 2): 1028-1041.[citado 2025 nov. 09 ] Available from: https://doi.org/10.1021/acs.jcim.9b00802

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