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Mai-2022Insights into the value of statistical models, solvent, and relativistic effects for investigating Re complexes of 2-(4′-aminophenyl)benzothiazole: a potential spectroscopic probeAndolpho, Gustavo A.; Cunha, Elaine F. F. da; Ramalho, Teodorico C.
Mai-2013Insights on the solubility of CO2 in 1-ethyl-3-methylimidazolium bis(trifluoro)sulphonylimide from the microscopic point of viewLourenço, Tuanan C.; Coelho, Mariny F. C.; Ramalho, Teodorico C.; Spoel, David van der; Costa, Luciano T.
Abr-2016Interactions fulvate-metal (Zn2+, Cu2+ and Fe2+): theoretical investigation of thermodynamic, structural and spectroscopic propertiesBertoli, Alexandre C.; Garcia, Jerusa S.; Trevisan, Marcello G.; Ramalho, Teodorico C.; Freitas, Matheus P.
2013Interactions of pyrimidine derivatives with dihydrofolate reductase and thymidylate synthase: directions toward combating toxoplasmosisAssis, Letícia C.; Santos-Garcia, Letícia; Ramalho, Teodorico C.; Cunha, Elaine F. F. da
2023Intermolecular covalent interactions: nature and directionalitySantos, Lucas de Azevedo; Ramalho, Teodorico C.; Hamlin, Trevor A.; Bickelhaupt, F. Matthias
16-Jul-2021Investigating an efficient and accurate protocol for sampling structures from molecular dynamics simulations: a close look by different wavelet familiesGonçalves, Mateus A.; G. Júnior, Arismar M.; Cunha, Elaine F. F. da; Ramalho, Teodorico C.
Jan-2014Ionic desorption in PMMA-Fe3O4 hybrid materials induced by fast electrons: an experimental and theoretical investigationRocha, Marcus V. J.; Carvalho, Hudson W. P.; Lacerda, Lívia C. T.; Simões, Grazieli; Souza, Gerardo G. B. de; Ramalho, Teodorico C.
-Is the bioconformation of 5-deoxy-5-fluoro-D-xylulose affected by intramolecular hydrogen bonds?Guimarães, Maria C.; Silla, Josué M.; Cunha, Elaine Fontes Ferreira da; Ramalho, Teodorico C.; Freitas, Matheus P.
2016Is the bioconformation of 5-deoxy-5-fluoro-D-xylulose affected by intramolecular hydrogen bonds?Guimarães, Maria C.; Silla, Josué M.; Cunha, Elaine F. F. da; Ramalho, Teodorico C.; Freitas, Matheus P.
1-Abr-2021Magnetic photocatalysts from δ-FeOOH and TiO2 and application in reactions for degradation of methylene blue and paracetamol with UV-C and sunlightMoura, Stéfany G. de; Dauzakier, Ligiane C. L.; Pereira, Leydiane O.; Ramalho, Teodorico C.; Oliveira, Luiz C. A. de; Magalhães, Fabiano
2017Mechanistic studies of new oximes reactivators of human butiryl cholinesterase inhibited by cyclosarin and sarinLima, Willian E. Amaral de; Francisco, Ander; Cunha, Elaine F.F. da; Radic, Zoran; Taylor, Palmer; 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.
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-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.
2016Molecular docking, metal substitution and hydrolysis reaction of chiral substrates of phosphotriesteraseCastro, Alexandre A. de; Caetano, Melissa S.; Silva, Telles C.; Mancini, Daiana T.; Rocha, Eduardo Pereira; Cunha, Elaine F. F. da; Ramalho, Teodorico C.
Mai-2015A molecular dynamics of cold neutral atoms captured by carbon nanotube under electric field and thermal effect as a selective atoms sensorSantos, Elson C.; Neto, Abel F. G.; Maneschy, Carlos E.; Chen, James; Ramalho, Teodorico C.; C. Neto, A. M. J.
14-Mar-2013Molecular dynamics of film formation of metal tetrasulfonated phthalocyanine and poly amidoamine dendrimersSilva, L. G.; C. Neto, A. M. J.; Gaffo, L.; Borges, R. S.; Ramalho, Teodorico C.; Machado, Nélio
2023Molecular dynamics-assisted interaction of vanadium complex-AMPK: from force field development to biological application for Alzheimer’s treatmentTavares, Camila A.; Santos, Taináh M. R.; Cunha, Elaine F. F. da; Ramalho, Teodorico C.
Ago-2015Molecular insight into the inhibition mechanism of plant and rat 4-hydroxyphenylpyruvate dioxygenase by molecular docking and DFT calculationsSilva, Telles Cardoso; Pires, Maíra dos Santos; Castro, Alexandre Alves de; Cunha, Elaine F. F. da; Caetano, Melissa Soares; Ramalho, Teodorico C.
Mar-2020Molecular Interactions Between DNA, Cocaine and Its MetabolitesSousa, Brunna S. M.; Gonçalves, Igor L. P..; Reis, Arthur F. V. F.; Gomes Neto, Abel F.; Ramalho, Teodorico C.; Neto, Antonio M. J. C.