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Resultado 1-10 de 20.
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Data do documentoTítuloAutor(es)
2019Asymmetric biodegradation of the nerve agents Sarin and VX by human dUTPase: chemometrics, molecular docking and hybrid QM/MM calculationsCastro, Alexandre A. de; Soares, Flávia Villela; Pereira, Ander Francisco; Silva, Telles Cardoso; Silva, Daniela Rodrigues; Mancini, Daiana Teixeira; Caetano, Melissa Soares; Cunha, Elaine F. F. da; Ramalho, Teodorico C.
2019Structure and bonding in triorganotin chlorides: a perspective from energy decomposition analysisRocha, Marcus V. J.; Vilhena, Felipe S.; Signorelli, Matheus R. M.; Carneiro, José W. de M.; Ramalho, Teodorico C.; Costa, Luciano T.
Dez-2019Could quantum mechanical properties be reflected on classical molecular dynamics? The case of halogenated organic compounds of biological interestSantos, Lucas de Azevedo; Prandi, Ingrid G.; Ramalho, Teodorico C.
15-Mar-2019The Perlin effect in 2-halocyclohexanones and 2-halocyclohexanethionesRezende, Fátima M. P. de; Freitas, Matheus P.; Ramalho, Teodorico C.
Dez-2019Antiureolytic Activity of Substituted 2,5-DiaminobenzoquinonesNain‐Perez, Amalyn; Barbosa, Luiz C. A.; Rodríguez‐Hernández, Diego; Mota, Yane C. C.; Silva, Thamara F.; Ramalho, Teodorico C.; Modolo, Luzia V.
Ago-2019Development of technologies applied to the biodegradation of warfare nerve agents: theoretical evidence for asymmetric homogeneous catalysisPereira, Ander Francisco; Castro, Alexandre A. de; Soares, Flávia Villela; Leal, Daniel Henriques Soares; Cunha, Elaine F. F. da; Mancini, Daiana Teixeira; Ramalho, Teodorico C.
Jun-20193D perspective into MIA‐QSAR: a case for anti‐HCV agentsDaré, Joyce K.; Ramalho, Teodorico C.; Freitas, Matheus P.
2019Anti-virulence strategy against the multidrug-resistant bacterial pathogen Pseudomonas aeruginosa: Pseudolysin (Elastase B) as a potential druggable targetGaldino, Anna Clara M.; Oliveira, Matheus P. de; Ramalho, Teodorico C.; Castro, Alexandre A. de; Branquinha, Marta H.; Santos, André L.S.
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.
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.