Search Results - "Borges, Nádia M."

Quantum Monte Carlo with density matrix: potential energy curve derived properties by Bonfim, Víctor S., Borges, Nádia M., Martins, João B. L., Gargano, Ricardo, Politi, José Roberto dos S.

“…In this work, we used diffusion quantum Monte Carlo with density matrix (d-DMC) and variational quantum Monte Carlo (d-VMC) to determine the potential energy…”
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Synthesis, conformational analysis and molecular docking studies on three novel dihydropyrimidine derivatives by Sallum, Lóide O., Vaz, Wesley F., Borges, Nádia M., de Campos, Carlos E.M., Bortoluzzi, Adailton J., Franco, Chris H.J., Ramos, Luciana M., Napolitano, Hamilton B.

“…The dihydropyrimidine (DHPM) derivatives I, II and III were synthesized through Biginelli reaction and characterized by X-ray diffraction and vibrational…”
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Benzodioxol Group Driving Supramolecular Arrangement of Two Tri-Methoxy Chalcones onto Β-Secretase 1 Enzyme Active Site by Duarte, Vitor, Custodio, Jean, dos Anjos, Murilo, Borges, Nádia, Oliveira, Guilherme, Napolitano, Hamilton

“…Chalcones are compounds with wide interesting biological activities including Alzheimer’s disease. A comparative study was performed between the chalcones…”
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Structural insights into the biological activity of a thioxopyrimidine derivative by Naves, Luiz F. N., Borges, Nadia M., Custodio, Jean M. F., Vaz, Wesley F., Bastos, Rodrigo M., Cunha, Silvio, Napolitano, Hamilton B.

“…Bacterial resistance to the main widespread antibiotics, such as those based on quinolones, is a concern of the scientific community, leading to the search for…”
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