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1-Nov-2021Theoretical insights into the effect of halogenated substituent on the electronic structure and spectroscopic properties of the favipiravir tautomeric forms and its implications for the treatment of COVID-19Assis, Letícia Cristina; Castro, Alexandre Alves de; Jesus, João Paulo Almirão de; Cunha, Elaine Fontes Ferreira da; Nepovimova, Eugenie; Krejcar, Ondrej; Kuca, Kamil; Ramalho, Teodorico Castro; La Porta, Felipe de Almeida
Fev-2017Theoretical structural and electronic analyses with emphasis on the reactivity of iron oxide prototypes in methane c-h bond activationSilva, Telles Cardoso; Almeida, Katia Júlia de; Pires, Maíra dos Santos; Castro, Alexandre Alves de; Gonçalves, Mateus Aquino; Cunha, Elaine Fontes Ferreira da; Ramalho, Teodorico Castro
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
2012Tratamento da água de purificação do biodiesel utilizando eletrofloculaçãoBrito, Juliana Ferreira de; Ferreira, Laís de Oliveira; Silva, Joaquim Paulo da; Ramalho, Teodorico Castro
12-Jan-2021Value of NMR relaxation parameters of diamagnetic molecules for quantum information processing: optimizing the coherent phaseLino, Jéssica Boreli dos Reis; Gonçalves, Mateus Aquino; Ramalho, Teodorico Castro
2016Virtual screening, docking, and dynamics of potential new inhibitors of dihydrofolate reductase from yersinia pestisBastos, Leonardo da Costa; Souza, Felipe Rodrigues de; Guimarães, Ana Paula; Sirouspour, Mehdi; Guizado, Teobaldo Ricardo Cuya; Forgione, Pat; Ramalho, Teodorico Castro; França, Tanos Celmar Costa