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Classical QSAR and docking simulation of 4-pyridone derivatives for their antimalarial activity
ArticleAbstract: In this work, the minimum energy structures of 22 4-pyridone derivatives have been optimized at DensPalabras claves:Computational study, DFT, Molecular descriptors, Nitrogen compoundsAutores:Alcázar J.J., Flores-Sumoza M., Jose R. Mora, Lezama J., Marquez E.A., Puello-Polo E.Fuentes:googlescopusPbkp_redicting the adsorption of amoxicillin and ibuprofen on chitosan and graphene oxide materials: A density functional theory study
ArticleAbstract: The occurrence, persistence, and accumulation of antibiotics and non-steroidal anti-inflammatory druPalabras claves:absorption, density functional theory, Emergent pollutants, Natural bond orbital, PharmaceuticalsAutores:Alcázar J.J., Anchique L., José Luis Paz, Jose R. Mora, Marquez E.A., Méndez-López M., Ramos-Hernandez A., Rangel N.Fuentes:googlescopus