CDFT-Based Reactivity Descriptors as a Useful MEDT Chemoinformatics Tool for the Study of the Virotoxin Family of Fungal Peptides

Virotoxins are monocyclic peptides formed by at least five different compounds: alaviroidin, viroisin, deoxoviroisin, viroidin and deoxovirodin. These are toxic peptides singularly found in Amanita virosa mushrooms. Here we perform computational studies on the structural and electronic conformations...

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Bibliographic Details
Main Authors: Norma Flores-Holguín, Juan Frau, Daniel Glossman-Mitnik
Format: Article
Language:English
Published: MDPI AG 2019-07-01
Series:Molecules
Subjects:
pKa
Online Access:https://www.mdpi.com/1420-3049/24/15/2707