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Artigo de periodico
Assessment of Reversibility for Covalent Cysteine Protease Inhibitors Using Quantum Mechanics/Molecular Mechanics Free Energy Surfaces (2022)
Santos, Alberto M. Dos; Oliveira, Amanda Ruslana Santana; Costa, Clauber H. S. da; Kenny, Peter W.; Montanari, Carlos Alberto ; Varela Júnior, Jaldyr de Jesus G.; Lameira, Jerônimo
Fonte: Journal of Chemical Information and Modeling. Unidade: IQSC
Assuntos: AMINOÁCIDOS, MECÂNICA QUÂNTICA, ENERGIA
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ABNT
SANTOS, Alberto M. Dos et al. Assessment of Reversibility for Covalent Cysteine Protease Inhibitors Using Quantum Mechanics/Molecular Mechanics Free Energy Surfaces. Journal of Chemical Information and Modeling, v. 62, p. 4083-4094, 2022Tradução . . Disponível em: https://doi.org/10.1021/acs.jcim.2c00466. Acesso em: 03 out. 2024.
APA
Santos, A. M. D., Oliveira, A. R. S., Costa, C. H. S. da, Kenny, P. W., Montanari, C. A., Varela Júnior, J. de J. G., & Lameira, J. (2022). Assessment of Reversibility for Covalent Cysteine Protease Inhibitors Using Quantum Mechanics/Molecular Mechanics Free Energy Surfaces. Journal of Chemical Information and Modeling, 62, 4083-4094. doi:10.1021/acs.jcim.2c00466
NLM
Santos AMD, Oliveira ARS, Costa CHS da, Kenny PW, Montanari CA, Varela Júnior J de JG, Lameira J. Assessment of Reversibility for Covalent Cysteine Protease Inhibitors Using Quantum Mechanics/Molecular Mechanics Free Energy Surfaces [Internet]. Journal of Chemical Information and Modeling. 2022 ; 62 4083-4094.[citado 2024 out. 03 ] Available from: https://doi.org/10.1021/acs.jcim.2c00466
Vancouver
Santos AMD, Oliveira ARS, Costa CHS da, Kenny PW, Montanari CA, Varela Júnior J de JG, Lameira J. Assessment of Reversibility for Covalent Cysteine Protease Inhibitors Using Quantum Mechanics/Molecular Mechanics Free Energy Surfaces [Internet]. Journal of Chemical Information and Modeling. 2022 ; 62 4083-4094.[citado 2024 out. 03 ] Available from: https://doi.org/10.1021/acs.jcim.2c00466
Artigo de periodico
Predicting the Relative Binding Affinity for Reversible Covalent Inhibitors by Free Energy Perturbation Calculations (2021)
Bonatto, Vinícius ; Shamim, Anwar ; Rocho, Fernanda dos Reis ; Leitão, Andrei ; Luque, F. Javier; Montanari, Carlos Alberto
Fonte: Journal of Chemical Information and Modeling. Unidade: IQSC
Assuntos: MEDICAMENTO, ENZIMAS
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ABNT
BONATTO, Vinícius et al. Predicting the Relative Binding Affinity for Reversible Covalent Inhibitors by Free Energy Perturbation Calculations. Journal of Chemical Information and Modeling, v. 61, p. 4733−4744, 2021Tradução . . Disponível em: https://doi.org/10.1021/acs.jcim.1c00515. Acesso em: 03 out. 2024.
APA
Bonatto, V., Shamim, A., Rocho, F. dos R., Leitão, A., Luque, F. J., & Montanari, C. A. (2021). Predicting the Relative Binding Affinity for Reversible Covalent Inhibitors by Free Energy Perturbation Calculations. Journal of Chemical Information and Modeling, 61, 4733−4744. doi:10.1021/acs.jcim.1c00515
NLM
Bonatto V, Shamim A, Rocho F dos R, Leitão A, Luque FJ, Montanari CA. Predicting the Relative Binding Affinity for Reversible Covalent Inhibitors by Free Energy Perturbation Calculations [Internet]. Journal of Chemical Information and Modeling. 2021 ; 61 4733−4744.[citado 2024 out. 03 ] Available from: https://doi.org/10.1021/acs.jcim.1c00515
Vancouver
Bonatto V, Shamim A, Rocho F dos R, Leitão A, Luque FJ, Montanari CA. Predicting the Relative Binding Affinity for Reversible Covalent Inhibitors by Free Energy Perturbation Calculations [Internet]. Journal of Chemical Information and Modeling. 2021 ; 61 4733−4744.[citado 2024 out. 03 ] Available from: https://doi.org/10.1021/acs.jcim.1c00515
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: 03 out. 2024.
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 2024 out. 03 ] 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 2024 out. 03 ] Available from: https://doi.org/10.1021/acs.jcim.9b00847
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: 03 out. 2024.
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 2024 out. 03 ] 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 2024 out. 03 ] Available from: https://doi.org/10.1021/acs.jcim.9b01138
Artigo de periodico
Novel application of 2D and 3D-similary searches to identify substrates among cytochrome P450 2C9, 2D6, and 3A4 (2010)
Freitas, R F; Bauab, R L; Montanari, Carlos Alberto
Fonte: Journal of Chemical Information and Modeling. Unidade: IQSC
Assunto: QUÍMICA MÉDICA
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ABNT
FREITAS, R F e BAUAB, R L e MONTANARI, Carlos Alberto. Novel application of 2D and 3D-similary searches to identify substrates among cytochrome P450 2C9, 2D6, and 3A4. Journal of Chemical Information and Modeling, v. 50, n. 1, p. 97-109, 2010Tradução . . Disponível em: http://pubs.acs.org/doi/abs/10.1021/ci900074t. Acesso em: 03 out. 2024.
APA
Freitas, R. F., Bauab, R. L., & Montanari, C. A. (2010). Novel application of 2D and 3D-similary searches to identify substrates among cytochrome P450 2C9, 2D6, and 3A4. Journal of Chemical Information and Modeling, 50( 1), 97-109. Recuperado de http://pubs.acs.org/doi/abs/10.1021/ci900074t
NLM
Freitas RF, Bauab RL, Montanari CA. Novel application of 2D and 3D-similary searches to identify substrates among cytochrome P450 2C9, 2D6, and 3A4 [Internet]. Journal of Chemical Information and Modeling. 2010 ; 50( 1): 97-109.[citado 2024 out. 03 ] Available from: http://pubs.acs.org/doi/abs/10.1021/ci900074t
Vancouver
Freitas RF, Bauab RL, Montanari CA. Novel application of 2D and 3D-similary searches to identify substrates among cytochrome P450 2C9, 2D6, and 3A4 [Internet]. Journal of Chemical Information and Modeling. 2010 ; 50( 1): 97-109.[citado 2024 out. 03 ] Available from: http://pubs.acs.org/doi/abs/10.1021/ci900074t
Artigo de periodico
Structural basis for selective inhibition of trypanosomatid glyceraldehyde-3-phosphate dehydrogenase: molecular docking and 3D QSAR studies (2008)
Guido, Rafael Victorio Carvalho ; Oliva, Glaucius ; Montanari, Carlos Alberto ; Andricopulo, Adriano Defini
Fonte: Journal of Chemical Information and Modeling. Unidades: IFSC, IQSC
Assuntos: PLANEJAMENTO DE FÁRMACOS, TRYPANOSOMA CRUZI, LEISHMANIA, DOENÇAS PARASITÁRIAS
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ABNT
GUIDO, Rafael Victorio Carvalho et al. Structural basis for selective inhibition of trypanosomatid glyceraldehyde-3-phosphate dehydrogenase: molecular docking and 3D QSAR studies. Journal of Chemical Information and Modeling, v. 48, n. 4, p. 918-929, 2008Tradução . . Acesso em: 03 out. 2024.
APA
Guido, R. V. C., Oliva, G., Montanari, C. A., & Andricopulo, A. D. (2008). Structural basis for selective inhibition of trypanosomatid glyceraldehyde-3-phosphate dehydrogenase: molecular docking and 3D QSAR studies. Journal of Chemical Information and Modeling, 48( 4), 918-929.
NLM
Guido RVC, Oliva G, Montanari CA, Andricopulo AD. Structural basis for selective inhibition of trypanosomatid glyceraldehyde-3-phosphate dehydrogenase: molecular docking and 3D QSAR studies. Journal of Chemical Information and Modeling. 2008 ; 48( 4): 918-929.[citado 2024 out. 03 ]
Vancouver
Guido RVC, Oliva G, Montanari CA, Andricopulo AD. Structural basis for selective inhibition of trypanosomatid glyceraldehyde-3-phosphate dehydrogenase: molecular docking and 3D QSAR studies. Journal of Chemical Information and Modeling. 2008 ; 48( 4): 918-929.[citado 2024 out. 03 ]

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