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Data do documentoTítuloAutor(es)
Dez-20111hJFH coupling in 2-fluorophenol revisited: is intramolecular hydrogen bond responsible for this long-range coupling?Cormanich, Rodrigo A.; Moreira, Marilua A.; Freitas, Matheus P.; Ramalho, Teodorico C.; Anconi, Cléber P. A.; Rittner, Roberto; Contreras, Rubén H.; Tormena, Cláudio F.
Mar-2011Photocatalytic degradation of organic compound in water using synthetic niobia: experimental and theoretical studiesNogueira, André E.; Ramalho, Teodorico C.; Oliveira, Luiz C. A.
Fev-2011Thermodynamic framework of the interaction between protein and solvent drives protein foldingRamalho, Teodorico C.; Cunha, Elaine F. F. da
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
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.
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
28-Jun-2011MIA-QSPR and effect of variable selection on the modeling of kinetic parameters related to activities of modified peptides against dengue type 2Silla, Josué M.; Nunes, Cleiton A.; Cormanich, Rodrigo A.; Guerreiro, Mário C.; Ramalho, Teodorico C.; Freitas, Matheus P.
Out-2011Theoretical and infrared studies on the conformational isomerism of trans-2-bromo-alkoxycyclohexanesSilla, Josué M.; Duarte, Claudimar J.; Freitas, Matheus P.; Ramalho, Teodorico C.; Cormanich, Rodrigo A.; Santos, Francisco P.; Tormena, Cláudio F.; Rittner, Roberto
27-Jul-2011Alkyl group effect on the conformational isomerism of trans-2-bromoalkoxycyclohexanes analyzed by NMR spectroscopy and theoretical calculationsSilla, Josué M.; Cormanich, Rodrigo A.; Duarte, Claudimar J.; Freitas, Matheus P.; Ramalho, Teodorico C.; Barbosa, Thaís M.; Santos, Francisco P.; Tormena, Cláudio F.; Rittner, Roberto
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.