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Browsing by Author "da Cunha, E.F.F."

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Effect of drug metabolism in the treatment of SARS-CoV-2 from an entirely computational perspective

de Jesus, J.P.A.; Assis, L.C.; de Castro, A.A.; da Cunha, E.F.F.; Nepovimová, Eugenie; Kuča, Kamil; de Castro Ramalho, Teodorico; de Almeida, La Porta F. (NATURE RESEARCH, 2021)

Understanding the effects of metabolism on the rational design of novel and more effective drugs is still a considerable challenge. To the best of our knowledge, there are no entirely computational strategies that make it ...
Hybrid materials based on magnetic iron oxides with benzothiazole derivatives: A plausible potential spectroscopy probe

Corrêa, S.; Rosa, I.A.; Andolpho, G.A.; de Assis, L.C.; Pires, M.S.; Lacerda, L.C.T.; Nogueira, F.G.E.; da Cunha, E.F.F.; Nepovimová, Eugenie; Kuča, Kamil; de Castro Ramalho, Teodorico (MDPI-Molecular diversity preservation international, 2021)

Rare diseases affect a small part of the population, and the most affected are children. Because of the low availability of patients for testing, the pharmaceutical industry cannot develop drugs for the diagnosis of many ...
Understanding the interaction modes and reactivity of trimedoxime toward mmache inhibited by nerve agents: Theoretical and experimental aspects

de Castro, A.A.; Polisel, D.A.; Pereira, B.T.L.; da Cunha, E.F.F.; Kuča, Kamil; Nepovimová, Eugenie; de Castro Ramalho, Teodorico (2020)

Organophosphorus (OP) compounds are used as both chemical weapons and pesticides. However, these agents are very dangerous and toxic to humans, animals, and the environment. Thus, investigations with reactivators have been ...

Browsing by Author "da Cunha, E.F.F."

Browsing by Author "da Cunha, E.F.F."

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