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Data do documentoTítuloAutor(es)
2019Esterase 2 as a fluorescent biosensor for the detection of organophosphorus compounds: docking and electronic insights from molecular dynamicsPrandi, Ingrid G.; Ramalho, Teodorico C.; França, Tanos C. 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.
9-Out-2021In silico studies of potential selective inhibitors of thymidylate kinase from Variola virusGarcia, Danielle R.; Souza, Felipe R.; Guimarães, Ana P.; Valis, Martin; Pavelek, Zbyšek; Kuca, Kamil; Ramalho, Teodorico C.; França, Tanos C. 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.
Out-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.
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.
2013Molecular modeling studies of piperidine derivatives as new acetylcholinesterase inhibitors against neurodegenerative diseasesCunha, Elaine F. F. da; Resende, José E.; França, Tanos C. C.; Gonçalves, Mateus Aquino; Souza, Felipe R. de; Santos-Garcia, Letícia; Ramalho, Teodorico C.
2011Molecular modeling studies of Yersinia pestis dihydrofolate reductaseOliveira, Aline A.; Rennó, Magdalena N.; Matos, César A. S. de; Bertuzzi, Morena D.; Ramalho, Teodorico C.; Fraga, Carlos A.M.; 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.
16-Fev-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.
2020Oxime K074: in vitro and in silico reactivation of acetylcholinesterase inhibited by nerve agents and pesticidesKuca, Kamil; Musilek, Kamil; Jun, Daniel; Nepovimova, Eugenie; Soukup, Ondrej; Korabecny, Jan; França, Tanos C. C.; Castro, Alexandre A. de; Krejcar, Ondrej; Cunha, Elaine F. F. da; Ramalho, Teodorico C.
Out-2015Parallel flexible molecular docking in computational chemistry on high performance computing clustersDoleza, Rafael; Ramalho, Teodorico C.; França, Tanos C. C.; Kuca, Kamil
Ago-2019Slight difference in the isomeric oximes K206 and K203 makes huge difference for the reactivation of organophosphorus-inhibited AChE: theoretical and experimental aspectsPolisel, Daniel A.; Castro, Alexandre A. de; Mancini, Daiana T.; Cunha, Elaine F. F. da; França, Tanos C. C.; Ramalho, Teodorico C.; Kuca, Kamil
2019Synthesis and theoretical study of HPW catalysts supported on niobia calcinated at 500 and 600 °CLacerda, Claudia V.; Lacerda, Livia C. T.; Castro, Alexandre A. de; França, Tanos C. C.; Ramalho, Teodorico C.; Essayem, Nadine; Gonzalez, Wilma de A.
19-Abr-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
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.