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Data do documentoTítuloAutor(es)
Out-2011Box–Behnken design for studying inclusion complexes of triglycerides and α-cyclodextrin: application to the heating protocol in molecular-dynamics simulationsAlmeida, Eduardo Walneide C.; Anconi, Cleber P. A.; Novato, Willian Tássio G.; Oliveira, Marcone A. L. de; Almeida, Wagner B. de; Santos, Hélio F. dos
Nov-2016Structure-based drugs design studies on spleen tyrosine kinase inhibitorsAssis, Letícia Cristina; Garcia, Letícia Santos; Mancini, Daiana Teixeira; Assis, Tamiris Maria; Silva, Daniela Rodrigues; Cardoso, Giovanna Gajo; Castro, Alexandre Alves de; Ramalho, Teodorico Castro; Cunha, Elaine Fontes Ferreira da
2017Analysis of Coxiela burnetti dihydrofolate reductase via in silico docking with inhibitors and molecular dynamics simulationSouza, Felipe Rodrigues de; Guimarães, Ana Paula; Cuya, Teobaldo; Freitas, Matheus Puggina de; Gonçalves, Arlan da Silva; Forgione, Pat; França, Tanos Celmar Costa
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.
4-Out-2016Towards understanding the mechanism of action of antibacterial N-alkyl-3-hydroxypyridinium salts: Biological activities, molecular modeling and QSAR studiesDolezal, Rafael; Soukup, Ondrej; Malinak, David; Savedra, Ranylson M. L.; Marek, Jan; Dolezalova, Marie; Pasdiorova, Marketa; Salajkova, Sarka; Korabecny, Jan; Honegr, Jan; Ramalho, Teodorico C.; Kuca, Kamil
2017Exploring EPR parameters of 99Tc complexes for designing new MRI probes: coordination environment, solvent, and thermal effects on the spectroscopic propertiesPereira, Bruna T. L.; Silva, Érika Ferreira; Gonçalves, Mateus A.; Mancini, Daiana T.; 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.
Out-2018Interactions of cantharidin-like inhibitors with human protein phosphatase-5 in a Mg2+ system: molecular dynamics and quantum calculationsAssis, Letícia C.; Castro, Alexandre A. de; Prandi, Ingrid G.; Mancini, Daiana T.; Giacoppo, Juliana O. S. de; Savedra, Ranylson M. L.; Assis, Tamiris M. de; Carregal, Juliano B.; Cunha, Elaine F. F. da; Ramalho, Teodorico Castro
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.
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.