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

por Frau, Juan, Flores-Holguín, Norma, Glossman-Mitnik, Daniel
Publicado 2018

Chemical Reactivity Theory and Empirical Bioactivity Scores as Computational Peptidology Alternative Tools for the Study of Two Anticancer Peptides of Marine Origin

por Frau, Juan, Flores-Holguín, Norma, Glossman-Mitnik, Daniel
Publicado 2019

Conceptual DFT as a chemoinformatics tool for the study of the Taltobulin anticancer peptide

por Flores-Holguín, Norma, Frau, Juan, Glossman-Mitnik, Daniel
Publicado 2019

Computational Peptidology Assisted by Conceptual Density Functional Theory for the Study of Five New Antifungal Tripeptides

por Flores-Holguín, Norma, Frau, Juan, Glossman-Mitnik, Daniel
Publicado 2019

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

por Flores-Holguín, Norma, Frau, Juan, Glossman-Mitnik, Daniel
Publicado 2019

Chemical reactivity and bioactivity properties of the Phallotoxin family of fungal peptides based on Conceptual Peptidology and DFT study

por Flores-Holguín, Norma, Frau, Juan, Glossman-Mitnik, Daniel
Publicado 2019

Calculation of the Global and Local Conceptual DFT Indices for the Prediction of the Chemical Reactivity Properties of Papuamides A–F Marine Drugs

por Flores-Holguín, Norma, Frau, Juan, Glossman-Mitnik, Daniel
Publicado 2019

Virtual Screening of Marine Natural Compounds by Means of Chemoinformatics and CDFT-Based Computational Peptidology

por Flores-Holguín, Norma, Frau, Juan, Glossman-Mitnik, Daniel
Publicado 2020

Conceptual DFT-Based Computational Peptidology of Marine Natural Compounds: Discodermins A–H

por Flores-Holguín, Norma, Frau, Juan, Glossman-Mitnik, Daniel
Publicado 2020

In Silico Pharmacokinetics, ADMET Study and Conceptual DFT Analysis of Two Plant Cyclopeptides Isolated From Rosaceae as a Computational Peptidology Approach

por Flores-Holguín, Norma, Frau, Juan, Glossman-Mitnik, Daniel
Publicado 2021

Computational Pharmacokinetics Report, ADMET Study and Conceptual DFT‐Based Estimation of the Chemical Reactivity Properties of Marine Cyclopeptides

por Flores‐Holguín, Norma, Frau, Juan, Glossman‐Mitnik, Daniel
Publicado 2021

Computational peptidology approach to the study of the chemical reactivity and bioactivity properties of Aspergillipeptide D, a cyclopentapeptide of marine origin

por Flores-Holguín, Norma, Frau, Juan, Glossman-Mitnik, Daniel
Publicado 2022

Virtual Prospection of Marine Cyclopeptides as Therapeutics by Means of Conceptual DFT and Computational ADMET

por Flores-Holguín, Norma, Frau, Juan, Glossman-Mitnik, Daniel
Publicado 2022

Editorial: Recent advances, new perspectives and applications of conceptual density functional theory

por Flores-Holguín, Norma, Frau, Juan, Glossman-Mitnik, Daniel
Publicado 2022

Talarolide A and Talaropeptides A–D: Potential Marine-Derived Therapeutic Peptides with Interesting Chemistry and Biological Activity Studied through Density Functional Theory (DFT...

por Flores-Holguín, Norma, Salas-Leiva, Joan S., Glossman-Mitnik, Daniel
Publicado 2023

Computational Discovery of Marine Molecules of the Cyclopeptide Family with Therapeutic Potential

por Flores-Holguín, Norma, Salas-Leiva, Joan S., Glossman-Mitnik, Daniel
Publicado 2023

Natural Carotenoids as Nanomaterial Precursors for Molecular Photovoltaics: A Computational DFT Study

por Ruiz-Anchondo, Teresita, Flores-Holguín, Norma, Glossman-Mitnik, Daniel
Publicado 2010

Interaction of Tamoxifen Analogs With the Pocket Site of Some Hormone Receptors. A Molecular Docking and Density Functional Theory Study

por Landeros-Martínez, Linda-Lucila, Glossman-Mitnik, Daniel, Flores-Holguín, Norma
Publicado 2018

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

por Flores-Holguín, Norma, Ortega-Castro, Joaquín, Frau, Juan, Glossman-Mitnik, Daniel
Publicado 2022

New Methods of Esterification of Nanodiamonds in Fighting Breast Cancer—A Density Functional Theory Approach

por Landeros-Martinez, Linda-Lucila, Glossman-Mitnik, Daniel, Orrantia-Borunda, Erasmo, Flores-Holguín, Norma
Publicado 2017