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7-Out-2021Effect of drug metabolism in the treatment of SARS-CoV-2 from an entirely computational perspectiveJesus, João Paulo Almirão de; Assis, Letícia Cristina; Castro, Alexandre Alves de; Cunha, Elaine Fontes Ferreira da; Nepovimova, Eugenie; Kuca, Kamil; Ramalho, Teodorico de Castro; La Porta, Felipe de Almeida
Out-2022(R)-Carvone is a potential soil fumigant against Meloidogyne incognita whose likely enzymatic target in the nematode is acetylcholinesterasePacule, Horácio B.; Vanegas, Javier A. G.; Terra, Willian C.; Campos, Vicente P.; Oliveira, Denilson F.
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.
2020Theoretical studies aimed at finding FLT3 inhibitors and a promising compound and molecular pattern with dual aurora B/FLT3 activityFernandes, Ítalo Antônio; Resende, Déborah Braga; Ramalho, Teodorico Castro; Kuca, Kamil; Cunha, Elaine Fontes Ferreira 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.
2010SAMTa - Uma nova proposta para análise computacional de dinâmicas molecularesCarvalho, Bernardo de Assis; Ramalho, Teodorico Castro; Cunha, Elaine Fontes Ferreira da; Lago, Daniel Guimarães do
Jul-2012Toxoplasmose: perspectivas no estudo de novos alvos terapêuticosMancini, D. T.; Assis, Letícia Cristina; Ramalho, Teodorico C.; Cunha, Elaine F. F. da; França, Tanos C. C.
2019Indolin-2-one derivatives: theoretical studies aimed at finding more potent aurora B kinase inhibitorsFernandes, Ítalo Antônio; Assis, Tamiris Maria de; Rosa, Isael Aparecido; Cunha, Elaine Fontes Ferreira da
21-Ago-2020Deciphering inhibitory activity of flavonoids against tau protein kinases: a coupled molecular docking and quantum chemical studyRasouli, Hassan; Mohammad Bagher Hosseini Ghazvin, Seyed; Ghafari Nikoo Jooneghan, Saber; C. Ramalho, Teodorico