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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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Publicat a:Molecules
Autors principals: Flores-Holguín, Norma, Frau, Juan, Glossman-Mitnik, Daniel
Format: Artigo
Idioma:Inglês
Publicat: MDPI 2020
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Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC7570683/
https://ncbi.nlm.nih.gov/pubmed/32932850
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/molecules25184158
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