Conceptual DFT-Based Computational Peptidology,Pharmacokinetics Study and ADMET Report of the Veraguamides A–G Family of Marine Natural Drugs |
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| Authors: | Norma Flores-Holguí n,Joaquí n Ortega-Castro,Juan Frau,Daniel Glossman-Mitnik |
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| Affiliation: | 1.Laboratorio Virtual NANOCOSMOS, Departamento de Medio Ambiente y Energía, Centro de Investigación en Materiales Avanzados, Chihuahua 31136, Mexico;2.Departament de Química, Facultat de Ciènces, Universitat de les Illes Balears, E-07122 Palma de Mallorca, Spain; (J.O.-C.); (J.F.) |
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| Abstract: | |
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| Keywords: | Veraguamides A– G, computational peptidology, conceptual DFT, KID (Koopmans In DFT), ADMET, computational pharmacokinetics |
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