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Issue DateTitleAuthor(s)
2011Design of new chemotherapeutics against the deadly anthrax disease. Docking and molecular dynamics studies of inhibitors containing pyrrolidine and riboamidrazone rings on nucleoside hydrolase from Bacillus anthracisaining Pyrrolidine and Riboamidrazone Rings on Nucleoside Hydrolase from Bacillus anthracisGuimarães, Ana P.; Oliveira, Aline A.; Cunha, Elaine F. F. da; Ramalho, Teodorico C.; França, Tanos C. C.
Oct-2011Molecular aspects of the reactivation process of acetylcholinesterase inhibited by cyclosarinMatos, Karina S.; Mancini, Daiana T.; Cunha, Elaine F. F. da; Kuča, Kamil; França, Tanos C. C.; Ramalho, Teodorico C.
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
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.
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.
Nov-2011Analysis of Bacillus anthracis nucleoside hydrolase via in silico docking with inhibitors and molecular dynamics simulationGuimarães, Ana P.; Oliveira, Aline A.; Cunha, Elaine F. F. da; Ramalho, Teodorico C.; França, Tanos C. C.
Jul-2012Toxoplasmose: perspectivas no estudo de novos alvos terapêuticosMancini, D. T.; Assis, Letícia Cristina; Ramalho, Teodorico C.; Cunha, Elaine F. F. da; França, Tanos C. C.
2012Molecular modeling studies on nucleoside hydrolase from the biological warfare agent Brucella suisMancini, Daiana Teixeira; Matos, Karina S.; Cunha, Elaine F. F. da; Assis, Tamiris M.; Guimarães, Ana P.; França, Tanos C. C.; Ramalho, Teodorico C.
2012First principles calculations of thermodynamics and kinetic parameters and molecular dynamics simulations of acetylcholinesterase reactivators: can mouse data provide new insights into humans?Matos, Karina S.; Cunha, Elaine F. F. da; Gonçalves, Arlan da Silva; Wilter, Alan; Kuča, Kamil; França, Tanos C. C.; Ramalho, Teodorico C.
2017Mechanistic studies of new oximes reactivators of human butyryl cholinesterase inhibited by cyclosarin and sarinLima, Willian E. Amaral de; Francisco, Ander; Cunha, Elaine Fontes Ferreira da; Radic, Zoran; Taylor, Palmer; França, Tanos C. C.; Ramalho, Teodorico C.