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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 PeptidesNorma Flores-Holguín, Juan Frau, Daniel Glossman-MitnikPharmaceuticals (Basel, Switzerland)|May 28, 2022
Virtual Prospection of Marine Cyclopeptides as Therapeutics by Means of Conceptual DFT and Computational ADMETNorma Flores-Holguín, Juan Frau, Daniel Glossman-MitnikScientific Reports|January 12, 2022
Computational peptidology approach to the study of the chemical reactivity and bioactivity properties of Aspergillipeptide D, a cyclopentapeptide of marine originNorma Flores-Holguín, Juan Frau, Daniel Glossman-MitnikComputational Biology and Chemistry|July 9, 2025
Exploring the reactivity landscape of bioactive peptides using conceptual DFT and molecular modeling toolsNorma Flores-Holguín, Juan Frau, Daniel Glossman-MitnikMolecules (Basel, Switzerland)|July 27, 2010
Natural carotenoids as nanomaterial precursors for molecular photovoltaics: a computational DFT studyTeresita Ruiz-Anchondo, Norma Flores-Holguín, Daniel Glossman-MitnikPhysical Chemistry Chemical Physics : PCCP|October 20, 2015
Towards the rationalization of catalytic activity values by means of local hyper-softness on the catalytic site: a criticism about the use of net electric chargesJorge Ignacio Martínez-Araya, André Grand, Daniel Glossman-MitnikPhysical Chemistry Chemical Physics : PCCP|November 3, 2015
Correction: Towards the rationalization of catalytic activity values by means of local hyper-softness on the catalytic site: a criticism about the use of net electric chargesJorge Ignacio Martínez-Araya, André Grand, Daniel Glossman-MitnikFrontiers in Chemistry|July 31, 2018
Interaction of Tamoxifen Analogs With the Pocket Site of Some Hormone Receptors. A Molecular Docking and Density Functional Theory StudyLinda-Lucila Landeros-Martínez, Daniel Glossman-Mitnik, Norma Flores-HolguínThe Journal of Physical Chemistry. B|August 4, 2015
Solvation Thermodynamic Properties of Hydrogen Sulfide in [C4mim][PF6], [C4mim][BF4], and [C4mim][Cl] Ionic Liquids, Determined by Molecular SimulationsJoel Sánchez-Badillo, Marco Gallo, Sandra Alvarado, et al.Physical Chemistry Chemical Physics : PCCP|May 12, 2015
Study of chemical reactivity in relation to experimental parameters of efficiency in coumarin derivatives for dye sensitized solar cells using DFTRody Soto-Rojo, Jesús Baldenebro-López, Daniel Glossman-MitnikPageof 9