Propriedades químico-quânticas empregadas em estudos das relações estrutura-atividade Quantum chemical properties used in structure-activity relationship studies by Agnaldo Arroio, Káthia M. Honório, Albérico B. F. da Silva

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O ensino de química quântica e o computador na perspectiva de projetos The teaching of quantum chemistry and the computer from the perspective projects by Agnaldo Arroio, Káthia M. Honório, Karen C. Weber, Paula Homem-de-Mello, Albérico B. F. da Silva

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Examining the Effect of Charged Lipids on Mitochondrial Outer Membrane Dynamics Using Atomistic Simulations by Aline A. Oliveira, Tomasz Róg, Albérico B. F. da Silva, Rommie E. Amaro, Mark S. Johnson, Pekka A. Postila

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Advances and Perspectives in Applying Deep Learning for Drug Design and Discovery by Celio F. Lipinski, Vinicius G. Maltarollo, Patricia R. Oliveira, Alberico B. F. da Silva, Kathia Maria Honorio, Kathia Maria Honorio

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A Proposal for the Mechanism of the CH + CO2 Reaction by Rafael M. Vichietti, Rene F. K. Spada, Albérico B. F. da Silva, Francisco B. C. Machado, Roberto L. A. Haiduke

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O show da Química: motivando o interesse científico by Agnaldo Arroio, Káthia M. Honório, Karen C. Weber, Paula Homem-de-Mello, Maria Teresa do Prado Gambardella, Albérico B. F. da Silva

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Molecular features related to HIV integrase inhibition obtained from structure- and ligand-based approaches. by Luciana L de Carvalho, Vinícius G Maltarollo, Emmanuela Ferreira de Lima, Karen C Weber, Kathia M Honorio, Albérico B F da Silva

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Identification of Electronic and Structural Descriptors of Adenosine Analogues Related to Inhibition of Leishmanial Glyceraldehyde-3-Phosphate Dehydrogenase by Norka B. H. Lozano, Rafael F. Oliveira, Karen C. Weber, Kathia M. Honorio, Rafael V. Guido, Adriano D. Andricopulo, Albérico B. F. Da Silva

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Understanding the Molecular Aspects of Tetrahydrocannabinol and Cannabidiol as Antioxidants by Káthia M. Honório, Marcieni A. Andrade, Ednilsom Orestes, Ana C. Baetas, Rommel B. Viana, João Batista Jr., Rosivaldo S. Borges, Albérico B. F. da Silva

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ESTUDO TEÓRICO E EXPERIMENTAL DE ESTRUTURA E REATIVIDADE RELACIONADO AO METABOLISMO E TOXICIDADE DO PARACETAMOL by Rosivaldo S. Borges, Wanda S. Costa, Ellen P. C. Gurrão, Luiz H. C. Holanda, Alanna C. L. F. Sousa, Joyce K. L. Vale, Cláudio N. Alves, Albérico B. F. da Silva

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Experimental and theoretical study on structure-tautomerism among edaravone, isoxazolone, and their heterocycles derivatives as antioxidants by Auriekson N. Queiroz, Camila C. Martins, Kelton L.B. Santos, Ederson S. Carvalho, Alex O. Owiti, Karen R.M. Oliveira, Anderson M. Herculano, Albérico B.F. da Silva, Rosivaldo S. Borges

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Non-peptidic cruzain inhibitors with trypanocidal activity discovered by virtual screening and in vitro assay. by Helton J Wiggers, Josmar R Rocha, William B Fernandes, Renata Sesti-Costa, Zumira A Carneiro, Juliana Cheleski, Albérico B F da Silva, Luiz Juliano, Maria H S Cezari, João S Silva, James H McKerrow, Carlos A Montanari

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