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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.
Set-2019Molecular interactions between p‐coumaric acid and snake venom toxinsCesar, Pedro H. S.; Trento, Marcus Vinícius Cardoso; Sales, Thais A.; Marques, Tamara R.; Braga, Mariana A.; Ramalho, Teodorico C.; Marcussi, Silvana
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.
2011Molecular modeling studies of Yersinia pestis dihydrofolate reductaseOliveira, Aline A.; Rennó, Magdalena N.; Matos, César A. S. de; Bertuzzi, Morena D.; Ramalho, Teodorico C.; Fraga, Carlos A.M.; França, Tanos C. 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.
16-Fev-2015Molecular modeling toward selective inhibitors of dihydrofolate reductase from the biological warfare agent Bacillus anthracisGiacoppo, Juliana O. S.; Mancini, Daiana T.; Guimarães, Ana P.; Gonçalves, Arlan S.; Cunha, Elaine F. F. da; França, Tanos C. C.; Ramalho, Teodorico C.
2018Molecularly imprinted polymers for selective adsorption of quinoline: theoretical and experimental studiesSaavedra, Liz Nayibe Martínez; Penido, Ricardo Gonçalves; Santos, Lucas de Azevedo; Ramalho, Teodorico C.; Baeta, Bruno E. Lobo; Pereira, Márcio C.; Silva, Adilson Candido da
Mar-2009Nb-containing hematites Fe2−xNbxO3: the role of Nb5+ on the reactivity in presence of the H2O2 or ultraviolet lightSilva, Adilson C.; Oliveira, Diana Q.L.; Oliveira, Luiz C.A.; Anastácio, Alexandre S.; Ramalho, Teodorico C.; Lopes, João H.; Carvalho, Hudson W.P.; Torres, Claudia E. Rodriguez
Out-2009Nb-doped hematites for decomposition of isopropanol: evidence of surface reactivity by in situ CO adsorptionOliveira, Luiz C. A.; Zaera, Francisco; Lee, Ilkeun; Lima, Diana Q.; Ramalho, Teodorico C.; Silva, Adilson C.; Fonseca, Emanuella M. B.
2010New approaches to the development of anti-protozoan drug candidates: a review of patentsCunha, Elaine F. F. da; Ramalho, Teodorico C.; Mancini, Daiana T.; Fonseca, Emanuella M. B.; Oliveira, Aline A.
2022New In Silico insights into the application of (Hydroxy)Chloroquine with Macrolide Antibiotic Co-Crystals against the SARS-CoV-2 VirusCastro, Alexandre A. de; Assis, Letícia C.; Cunha, Elaine F. F. da; Ramalho, Teodorico C.; La Porta, Felipe A.
2018A newly developed oxime K203 is the most effective reactivator of tabun-inhibited acetylcholinesteraseKuca, Kamil; Musilek, Kamil; Jun, Daniel; Zdarova-Karasova, Jana; Nepovimova, Eugenie; Soukup, Ondrej; Hrabinova, Martina; Mikler, John; Franca, Tanos C. C.; Cunha, Elaine F. F. da; Castro, Alexandre A. de; Valis, Martin; Ramalho, Teodorico C.
Mai-2019NMR relaxation and relaxivity parameters of MRI probes revealed by optimal wavelet signal compression of molecular dynamics simulationsGonçalves, Mateus A.; Santos, Lizandro S.; Peixoto, Fernando C.; Ramalho, Teodorico C.
2019Non-conventional compounds with potential therapeutic effects against Alzheimer’s diseaseCastro, Alexandre A. de; Soares, Flávia V.; Pereira, Ander F.; Polisel, Daniel A.; Caetano, Melissa S.; Leal, Daniel H. S.; Cunha, Elaine F. F. da; Nepovimova, Eugenie; Kuca, Kamil; Ramalho, Teodorico C.
2016Novas perspectivas sobre o papel dos orbitais moleculares de fronteira no estudo da reatividade química: uma revisãoPereira, Douglas Henrique; La Porta, Felipe A.; Santiago, Regis Tadeu; Garcia, Danielle R.; Ramalho, Teodorico C.