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Conceptual DFT-Based Computational Peptidology of Marine Natural Compounds: Discodermins A–H

A methodology based on the concepts that arise from Density Functional Theory named Conceptual Density Functional Theory (CDFT) was chosen for the calculation of some global and local reactivity descriptors of the Discodermins A–H family of marine peptides through the consideration of the KID (Koopm...

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Detalles Bibliográficos
Autores principales:	Flores-Holguín, Norma, Frau, Juan, Glossman-Mitnik, Daniel
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2020
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7570683/ https://www.ncbi.nlm.nih.gov/pubmed/32932850 http://dx.doi.org/10.3390/molecules25184158

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