Listar QFA_Articles por autoría "7ab1cef2-6d32-4209-ac5b-728fa4563382"
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A Molecular Modeling Approach to Identify Novel Inhibitors of the Major Facilitator Superfamily of Efflux Pump Transporters
Zárate Villarroel, Sandra Giovana; Morales, Paula; Świderek, Katarzyna; Bolanos-Garcia, Victor M.; Bastida, Agatha MDPI (2019)Multidrug efflux systems play a prominent role in medicine, as they are important contributors to bacterial antibiotic resistance. NorA is an efflux pump transporter from the major facilitator superfamily that expels ... -
Theoretical Studies on Mechanism of Inactivation of Kanamycin A by 4′-O-Nucleotidyltransferase
Martí Forés, Sergio; Bastida, Agatha; Świderek, Katarzyna Frontiers Media (2019-01-29)This work is focused on mechanistic studies of the transfer of an adenylyl group (Adenoside-5′-monophosfate) from adenosine 5′-triphosphate (ATP) to a OH-4′ hydroxyl group of an antibiotic. Using hybrid quantum ...