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ACS Omega
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August 29, 2019
Computational Peptidology Assisted by Conceptual Density Functional Theory for the Study of Five New Antifungal Tripeptides
Norma Flores-Holguín, Juan Frau, Daniel Glossman-Mitnik
Journal 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 cyclopeptides
Norma Flores-Holguín, Juan Frau, Daniel Glossman-Mitnik
Frontiers 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 Approach
Norma Flores-Holguín, Juan Frau, Daniel Glossman-Mitnik
Molecules (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 Drugs
Norma Flores-Holguín, Juan Frau, Daniel Glossman-Mitnik
Molecules (Basel, Switzerland)
|
July 28, 2019
CDFT-Based Reactivity Descriptors as a Useful MEDT Chemoinformatics Tool for the Study of the Virotoxin Family of Fungal Peptides
Norma Flores-Holguín, Juan Frau, Daniel Glossman-Mitnik
Pharmaceuticals (Basel, Switzerland)
|
May 28, 2022
Virtual Prospection of Marine Cyclopeptides as Therapeutics by Means of Conceptual DFT and Computational ADMET
Norma Flores-Holguín, Juan Frau, Daniel Glossman-Mitnik
Scientific Reports
|
January 12, 2022
Computational peptidology approach to the study of the chemical reactivity and bioactivity properties of Aspergillipeptide D, a cyclopentapeptide of marine origin
Norma Flores-Holguín, Juan Frau, Daniel Glossman-Mitnik
Computational Biology and Chemistry
|
July 9, 2025
Exploring the reactivity landscape of bioactive peptides using conceptual DFT and molecular modeling tools
Norma Flores-Holguín, Juan Frau, Daniel Glossman-Mitnik
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 study
Norma Flores-Holguín, Asghar Abbas, Daniel Glossman-Mitnik
Chemistryopen
|
November 22, 2021
Computational Pharmacokinetics Report, ADMET Study and Conceptual DFT-Based Estimation of the Chemical Reactivity Properties of Marine Cyclopeptides
Norma Flores-Holguín, Juan Frau, Daniel Glossman-Mitnik
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Search research articles
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Showing results (1-10 of 52) with videos related to
Sort By:
Page
of 6
ACS Omega
|
August 29, 2019
Computational Peptidology Assisted by Conceptual Density Functional Theory for the Study of Five New Antifungal Tripeptides
Norma Flores-Holguín, Juan Frau, Daniel Glossman-Mitnik
Journal 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 cyclopeptides
Norma Flores-Holguín, Juan Frau, Daniel Glossman-Mitnik
Frontiers 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 Approach
Norma Flores-Holguín, Juan Frau, Daniel Glossman-Mitnik
Molecules (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 Drugs
Norma Flores-Holguín, Juan Frau, Daniel Glossman-Mitnik
Molecules (Basel, Switzerland)
|
July 28, 2019
CDFT-Based Reactivity Descriptors as a Useful MEDT Chemoinformatics Tool for the Study of the Virotoxin Family of Fungal Peptides
Norma Flores-Holguín, Juan Frau, Daniel Glossman-Mitnik
Pharmaceuticals (Basel, Switzerland)
|
May 28, 2022
Virtual Prospection of Marine Cyclopeptides as Therapeutics by Means of Conceptual DFT and Computational ADMET
Norma Flores-Holguín, Juan Frau, Daniel Glossman-Mitnik
Scientific Reports
|
January 12, 2022
Computational peptidology approach to the study of the chemical reactivity and bioactivity properties of Aspergillipeptide D, a cyclopentapeptide of marine origin
Norma Flores-Holguín, Juan Frau, Daniel Glossman-Mitnik
Computational Biology and Chemistry
|
July 9, 2025
Exploring the reactivity landscape of bioactive peptides using conceptual DFT and molecular modeling tools
Norma Flores-Holguín, Juan Frau, Daniel Glossman-Mitnik
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 study
Norma Flores-Holguín, Asghar Abbas, Daniel Glossman-Mitnik
Chemistryopen
|
November 22, 2021
Computational Pharmacokinetics Report, ADMET Study and Conceptual DFT-Based Estimation of the Chemical Reactivity Properties of Marine Cyclopeptides
Norma Flores-Holguín, Juan Frau, Daniel Glossman-Mitnik
Page
of 6