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Chemical Reactivity Properties, pK(a) Values, AGEs Inhibitor Abilities and Bioactivity Scores of the Mirabamides A–H Peptides of Marine Origin Studied by Means of Conceptual DFT

The MN12SX density functional, in connection with the Def2TZVP basis set, was assessed, together with the SMD solvation model (Solvation Model based on the Density), for calculation of the molecular properties and structure of a group of peptides of marine origin named Mirabamides A–H. All the chemi...

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Bibliografiske detaljer
Udgivet i:Mar Drugs
Main Authors: Frau, Juan, Flores-Holguín, Norma, Glossman-Mitnik, Daniel
Format: Artigo
Sprog:Inglês
Udgivet: MDPI 2018
Fag:
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC6163382/
https://ncbi.nlm.nih.gov/pubmed/30154377
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/md16090302
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