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Data do documentoTítuloAutor(es)
2017Reductive amination of levulinic acid to different pyrrolidones on Ir/SiO2-SO3H: elucidation of reaction mechanismMartínez, José J.; Silva, Leonardo; Rojas, Hugo A.; Romanelli, Gustavo P.; Santos, Lucas A.; Ramalho, Teodorico C.; Brijaldo, María H.; Passos, Fabio B.
Jul-2018Design of Novel N-Myristoyltransferase Inhibitors of Leishmania donovani Using Four-Dimensional Quantitative Structure-Activity Relationship AnalysisSantos-Garcia, Letícia; Silva, Daniela R.; Assis, Letícia C.; Assis, Tamiris M. de; Gajo, Giovanna C.; Fernandes, Ítalo Antônio; Ramalho, Teodorico C.; Cunha, Elaine F. F. da
2019Structure and bonding in triorganotin chlorides: a perspective from energy decomposition analysisRocha, Marcus V. J.; Vilhena, Felipe S.; Signorelli, Matheus R. M.; Carneiro, José W. de M.; Ramalho, Teodorico C.; Costa, Luciano T.
2009Analysis of Wild-type and Gly96Ala mutant EPSP synthase structures via in silico docking with inhibitors and molecular dynamics simulationCaetano, Melissa S.; Ramalho, Teodorico C.; Cunha, Elaine F. F. da; Josa, Daniela; Souza, Thais C. S.
Dez-2019Could quantum mechanical properties be reflected on classical molecular dynamics? The case of halogenated organic compounds of biological interestSantos, Lucas de Azevedo; Prandi, Ingrid G.; Ramalho, Teodorico C.
Out-2014Application of 4D-QSAR studies to a series of benzothiophene analogsCaldas, Giovana Baptista; Ramalho, Teodorico C.; Cunha, Elaine F. F. da
12-Set-2014Synthesis and antiproliferative activity of 8-hydroxyquinoline derivatives containing a 1,2,3-triazole moietyFreitas, Luiza B. de O.; Borgati, Thiago F.; Freitas, Rossimiriam P. de; Ruiz, Ana L. T. G.; Marchetti, Gabriela M.; Carvalho, João E. de; Cunha, Elaine F. F. da; Ramalho, Teodorico C.; Alves, Rosemeire B.
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.
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.
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.