Conceptual DFT-Based Computational Peptidology, Pharmacokinetics Study and ADMET Report of the Veraguamides A–G Family of Marine Natural Drugs

Conceptual DFT-Based Computational Peptidology, Pharmacokinetics Study and ADMET Report of the Veraguamides A–G Family of Marine Natural Drugs

As a continuation of our research on the chemical reactivity, pharmacokinetics and ADMET properties of cyclopeptides of marine origin with potential therapeutic abilities, in this work our already presented integrated molecular modeling protocol has been used for the study of the chemical reactivity...

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Bibliographic Details
Main Authors:	Norma Flores-Holguín, Joaquín Ortega-Castro, Juan Frau, Daniel Glossman-Mitnik
Format:	Article
Language:	English
Published:	MDPI AG 2022-01-01
Series:	Marine Drugs
Subjects:	Veraguamides A–G computational peptidology conceptual DFT KID (Koopmans In DFT) ADMET computational pharmacokinetics
Online Access:	https://www.mdpi.com/1660-3397/20/2/97

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