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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...

詳細記述

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書誌詳細
出版年:Molecules
主要な著者: Flores-Holguín, Norma, Frau, Juan, Glossman-Mitnik, Daniel
フォーマット: Artigo
言語:Inglês
出版事項: MDPI 2020
主題:
オンライン・アクセス: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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