Produções Bibliográficas
Artigos completos publicados em periódicos |
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Ruiz-Pernía, J. Javier ; Alves, Cláudio Nahum ; MOLINER, Vicent ; SILLA, Estanislao ; TUÑÓN, Iñaki ; ALVES, C. N. . A QM/MM study of the reaction mechanism for the 3?-processing step catalyzed by HIV-1 integrase. Journal of Molecular Structure. Theochem, v. 898, p. 115-120, 2009.
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ALVES, C. N. ; MARTÍ, S. ; CASTILLO, Raquel ; MOLINER, Vicent ; ANDÉS, Juan ; TUÑÓN, Iñaki ; SILLA, E. . A Quantum Mechanics/Molecular Mechanic Study of the Wild-Type and N155S Mutant HIV-1 Integrase Complexed with a Diketo Acid. Biophysical Journal, v. 94, p. 2443-2451, 2008.
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LAMEIRA, J. ; ALVES, C. N. ; MOLINER, V. ; KANAAN, N. ; MARTÍ, S. ; TUÑÓN, Iñaki . A Quantum Mechanics/Molecular Mechanics Study of the Protein−Ligand Interaction of Two Potent Inhibitors of Human O-GlcNAcase: PUGNAc and NAG-Thiazoline. Journal of Physical Chemistry. B, v. 112, p. 14260-14266, 2008.
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ALVES, C. N. ; MARTÍ, Sergio ; CASTILLO, Raquel ; ANDÉS, Juan ; MOLINER, Vicent ; TUÑÓN, Iñaki ; SILLA, Estanislao . A Quantum Mechanics / Molecular Mechanics Study of the Protein-Ligand Interaction for Inhibitors of HIV-1 Integrase. Chemistry (Weinheim), Alemanha, v. 13, p. 7715-7724, 2007.
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