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Data do documentoTítuloAutor(es)
Jun-2022In silico-guided proposition of potential nematocidal and antibacterial N-(1,3,4-thiadiazol-2-yl)benzamidesLicona, Jessica S. F.; Pereira, Ingrid V.; Faria, Adriana C. de; Daré, Joyce K.; Cunha, Elaine F. F. da; Freitas, Matheus P.
Mai-2009Influence of Zn–Cd substitution: Spectroscopic and theoretical investigation of 8-hydroxyquinoline complexesRamalho, Teodorico C.; Martins, Tales L. C.; Borges, Luiz E. Pizarro; Pinho, Marcos Henrique de; Avillez, Roberto Ribeiro de; Cunha, Elaine F. F. da
2018Insights into the drug repositioning applied to the alzheimer's disease treatment and future perspectivesCastro, Alexandre A. de; Cunha, Elaine F. F. da; Pereira, Ander F.; Soares, Flavia V.; Leal, Daniel H. S.; Kuca, Kamil; Ramalho, Teodorico C.
Out-2018Insights into the pharmaceuticals and mechanisms of neurological orphan diseases: current status and future expectationsRamalho, Teodorico C.; Castro, Alexandre A. de; Tavares, Tássia S.; Silva, Maria C.; Silva, Daniela R.; Cesar, Pedro H.; Santos, Lucas A.; Cunha, Elaine F. F. da; Nepovimova, Eugenie; Kuca, Kamil
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.
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
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
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.
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.
2023MIA-QSAR study of the structural merging of (thio)benzamide herbicides with photosynthetic system II inhibitory activitiesPereira, Ingrid V.; Daré, Joyce K.; Cunha, Elaine F. F. da; 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.
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.
2015Molecular modeling and in vitro reactivation study between the oxime BI-6 and acetylcholinesterase inhibited by different nerve agentsGiacoppo, Juliana O. S.; França, Tanos C. C.; Kuča, Kamil; Cunha, Elaine F. F. da; Abagyan, Ruben; Mancini, Daiana Teixeira; Ramalho, Teodorico C.
2010Molecular modeling of Mycobacterium tuberculosis DNA gyrase and its molecular docking study with gatifloxacin inhibitorsCunha, Elaine F. F. da; Barbosa, Edilaine F.; Oliveira, Aline A.; Ramalho, Teodorico C.
12-Out-2010Molecular modeling of Mycobacterium tuberculosis dUTpase: docking and catalytic mechanism studiesRamalho, Teodorico C.; Caetano, Melissa S.; Josa, Daniela; Luz, Gustavo P.; Freitas, Elisangela A.; Cunha, Elaine F. F. da
2012Molecular modeling of the toxoplasma gondii adenosine kinase inhibitorsMancini, Daiana Teixeira; Cunha, Elaine F. F. da; Ramalho, Teodorico C.; Freitas, Matheus P.
2013Molecular modeling studies of piperidine derivatives as new acetylcholinesterase inhibitors against neurodegenerative diseasesCunha, Elaine F. F. da; Resende, José E.; França, Tanos C. C.; Gonçalves, Mateus Aquino; Souza, Felipe R. de; Santos-Garcia, Letícia; Ramalho, Teodorico C.
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.