Browsing by Author Ramalho, Teodorico C.

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Issue DateTitleAuthor(s)
Aug-2014Dynamics, NMR parameters and hyperfine coupling constants of the Fe3O4(100)-water interface: implications for MRI probesGonçalves, Mateus A.; Peixoto, Fernando C.; Cunha, Elaine F. F. da; Ramalho, Teodorico C.
15-Dec-2009Electrical field effects on dipole moment, structure and energetic of (H2O)n (2 ⩽ n ⩽ 15) clusterToledo, Evelyn J. L.; Custodio, Rogério; Ramalho, Teodorico C.; Porto, Maria Eugênia Garcia; Magriotis, Zuy M.
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.
2023Evaluation of autophagy inhibition to combat cancer: (vanadium complex)-protein interactions, parameterization, and validation of a new force fieldSantos, Taináh M. R.; Tavares, Camila A.; Pereira, Ander F.; Cunha, Elaine F. F. da; Ramalho, Teodorico C.
Nov-2016Excited-state proton transfer can tune the color of protein fluorescent markersMancini, Daiana T.; Sen, Kakali; Barbatti, Mario; Thiel, Walter; Ramalho, Teodorico C.
-Experimental and theoretical study on the reactivity of maghemite doped with Cu2+ in oxidation reactions: structural and thermodynamic properties towards a Fenton catalystPires, Maíra dos Santos; Nogueira, Francisco G. E.; Torres, Juliana A.; Lacerda, Lívia C. T.; Corrêa, Silviana; Pereira, Márcio C.; Ramalho, Teodorico C.
2023Exploring electronic, structural and dynamics parameters of phenylbenzothiazole complexes with Mn2+, Cu2+ and Zn2+ for designing new magnetic resonance imaging (MRI) probes: congruence between computation and spectroscopic dataRosa, Isael Aparecido; Gonçalves, Mateus A. ,; Krambrock, Klaus Wilhelm Heinrich; Santos, Marcelo Henrique dos; Braga, Letícia S.; Cunha, Elaine F. F. da; Ramalho, Teodorico C.
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.
2012Exploring MIA-QSARs for farnesyltransferase inhibitory effect of antimalarial compounds refined by docking simulationsDeeb, Omar; Alfalah, Sherin; Freitas, Matheus P.; Cunha, Elaine F. F. da; Ramalho, Teodorico C.
Jan-2017Exploring MIA-QSPR's for the modeling of biomagnification factors of aromatic organochlorine pollutantsMota, Estella G. da; Duarte, Mariene H.; Barigye, Stephen J.; Ramalho, Teodorico C.; Freitas, Matheus P.
Jan-2017Exploring MIA-QSPR's for the modeling of biomagnification factors of aromatic organochlorine pollutantsMota, Estella G. da; Duarte, Mariene H.; Barigye, Stephen J.; Ramalho, Teodorico C.; Freitas, Matheus P.
Apr-2015Fe-DPA as catalyst for oxidation of organic contaminants: evidence of homogeneous fenton processRamos, Paulize H.; La Porta, Felipe A.; Resende, Eliane C. de; Giacoppo, Juliana O. S.; Guerreiro, Mario C.; Ramalho, Teodorico C.
2019First attempts of the use of 195Pt NMR of phenylbenzothiazole complexes as spectroscopic technique for the cancer diagnosisPereira, Bruna T. L.; Gonçalves, Mateus A.; Mancini, Daiana T.; Kuca, Kamil; 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.
Jun-2014Flagella interacting with a carbon nanowire with the variation of time and initial temperatureSantos, Elson C.; Santos, Alessandro J. G.; G. Neto, Abel F.; C. Neto, Antonio M. J.; Borges, Rosivaldo S.; Ramalho, Teodorico C.
2016Flexibility in the molecular design of acetylcholinesterase reactivators: probing representative conformations by chemometric techniques and docking/QM calculationsLima, Willian E. A. de; Pereira, Ander F.; Castro, Alexandre A. de; Cunha, Elaine F. F. da; Ramalho, Teodorico C.
2019Future therapeutic perspectives into the Alzheimer’s disease targeting the oxidative stress hypothesisTeixeira, Jéssika P.; Castro, Alexandre A. de; Soares, Flávia V.; Cunha, Elaine F. F. da; Ramalho, Teodorico C.
Aug-2012F···HO as the main transmission mechanism for 1hJF,H(O) coupling constant in 2'-fluoroflavonolFonseca, Tânia A. O.; Ramalho, Teodorico C.; Freitas, Matheus P.
12-Apr-2021Hybrid materials based on magnetic iron oxides with benzothiazole derivatives: a plausible potential spectroscopy probeCorrêa, Silviana; Rosa, Isael Aparecido; Andolpho, Gustavo A.; Assis, Letícia Cristina de; Pires, Maíra dos S.; Lacerda, Lívia C. T.; Nogueira, Francisco G. E.; Cunha, Elaine F. F. da; Nepovimova, Eugenie; Kuca, Kamil; Ramalho, Teodorico C.
2014Hydrophobic noncovalent interactions of inosine-phenylalanine: a theoretical model for investigating the molecular recognition of nucleobasesSantos, Lucas A.; Cunha, Elaine F. F. da; Freitas, Matheus P.; Ramalho, Teodorico C.