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Journal of Molecular Modeling|June 12, 2020
Influence on the reactivity properties of the substitution by different halogens on the conjugated backbone of the 1,3,5-triaryl-2-pyrazoline skeleton in relation to the increasing alkyloxy chain length: a conceptual density functional theory studyNorma Flores-Holguín, Asghar Abbas, Daniel Glossman-MitnikChemistryopen|November 22, 2021
Computational Pharmacokinetics Report, ADMET Study and Conceptual DFT-Based Estimation of the Chemical Reactivity Properties of Marine CyclopeptidesNorma Flores-Holguín, Juan Frau, Daniel Glossman-MitnikMarine Drugs|August 30, 2018
Chemical Reactivity Properties, pKa Values, AGEs Inhibitor Abilities and Bioactivity Scores of the Mirabamides A⁻H Peptides of Marine Origin Studied by Means of Conceptual DFTJuan Frau, Norma Flores-Holguín, Daniel Glossman-MitnikBMC Research Notes|July 21, 2019
Conceptual DFT as a chemoinformatics tool for the study of the Taltobulin anticancer peptideNorma Flores-Holguín, Juan Frau, Daniel Glossman-MitnikHeliyon|August 30, 2019
Chemical reactivity and bioactivity properties of the Phallotoxin family of fungal peptides based on Conceptual Peptidology and DFT studyNorma Flores-Holguín, Juan Frau, Daniel Glossman-MitnikMarine Drugs|September 23, 2020
Virtual Screening of Marine Natural Compounds by Means of Chemoinformatics and CDFT-Based Computational PeptidologyNorma Flores-Holguín, Juan Frau, Daniel Glossman-MitnikACS Omega|August 29, 2019
Computational Peptidology Assisted by Conceptual Density Functional Theory for the Study of Five New Antifungal TripeptidesNorma Flores-Holguín, Juan Frau, Daniel Glossman-MitnikJournal of Molecular Modeling|October 8, 2021
An integrated molecular modeling protocol for drug screening based on conceptual density functional theory and chemoinformatics for the study of marine cyclopeptidesNorma Flores-Holguín, Juan Frau, Daniel Glossman-MitnikFrontiers in Chemistry|August 30, 2021
In Silico Pharmacokinetics, ADMET Study and Conceptual DFT Analysis of Two Plant Cyclopeptides Isolated From Rosaceae as a Computational Peptidology ApproachNorma Flores-Holguín, Juan Frau, Daniel Glossman-MitnikMolecules (Basel, Switzerland)|September 14, 2019
Calculation of the Global and Local Conceptual DFT Indices for the Prediction of the Chemical Reactivity Properties of Papuamides A-F Marine DrugsNorma Flores-Holguín, Juan Frau, Daniel Glossman-MitnikPageof 9