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Results 11-20 of 175 (Search time: 0.001 seconds).
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Issue DateTitleAuthor(s)
Nov-2010QSAR and docking studies of novel antileishmanial diaryl sulfides and sulfonamidesGoodarzi, Mohammad; Cunha, Elaine F. F. da; Freitas, Matheus P.; Ramalho, Teodorico C.
Jul-2012Computer-assisted assessment of potentially useful non-peptide HIV-1 protease inhibitorsDeeb, Omar; Cunha, Elaine F. F. da; Cormanich, Rodrigo A.; Ramalho, Teodorico C.; Freitas, Matheus P.
19-Apr-2011Topology and dynamics of the interaction between 5-nitroimidazole radiosensitizers and duplex DNA studied by a combination of docking, molecular dynamic simulations and NMR spectroscopyRamalho, Teodorico C.; França, Tanos C. C.; Cortopassi, Wilian A.; Gonçalves, Arlan S.; Silva, Alan W. S. da; Cunha, Elaine F. F. da
2010Description of the acid/base behavior of organic phosphines using ab initio and chemometric approachesSantiago, Regis T.; La Porta, Felipe A.; Rocha, Marcus V. J.; Ramalho, Teodorico C.; Freitas, Matheus P.; Cunha, Elaine F. F. da
2011Orbital signatures as a descriptor of regioselectivity and chemical reactivity: the role of the frontier orbitals on 1,3-dipolar cycloadditionsLa Porta, Felipe A.; Ramalho, Teodorico C.; Santiago, Régis T.; Rocha, Marcus V. J.; Cunha, Elaine F. F. da
12-Oct-2010Molecular modeling of Mycobacterium tuberculosis dUTpase: docking and catalytic mechanism studiesRamalho, Teodorico C.; Caetano, Melissa S.; Josa, Daniela; Luz, Gustavo P.; Freitas, Elisangela A.; Cunha, Elaine F. F. da
Feb-2011Thermodynamic framework of the interaction between protein and solvent drives protein foldingRamalho, Teodorico C.; Cunha, Elaine F. F. da
2015Molecular modeling and in vitro reactivation study between the oxime BI-6 and acetylcholinesterase inhibited by different nerve agentsGiacoppo, Juliana O. S.; França, Tanos C. C.; Kuča, Kamil; Cunha, Elaine F. F. da; Abagyan, Ruben; Mancini, Daiana Teixeira; Ramalho, Teodorico C.
12-Sep-2014Synthesis and antiproliferative activity of 8-hydroxyquinoline derivatives containing a 1,2,3-triazole moietyFreitas, Luiza B. de O.; Borgati, Thiago F.; Freitas, Rossimiriam P. de; Ruiz, Ana L. T. G.; Marchetti, Gabriela M.; Carvalho, João E. de; Cunha, Elaine F. F. da; Ramalho, Teodorico C.; Alves, Rosemeire B.
16-Feb-2015Molecular modeling toward selective inhibitors of dihydrofolate reductase from the biological warfare agent Bacillus anthracisGiacoppo, Juliana O. S.; Mancini, Daiana T.; Guimarães, Ana P.; Gonçalves, Arlan S.; Cunha, Elaine F. F. da; França, Tanos C. C.; Ramalho, Teodorico C.