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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 DrugsNorma 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 PeptidesNorma 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 ADMETNorma 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 toolsNorma Flores-Holguín, Juan Frau, Daniel Glossman-Mitnik
Physical 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-Mitnik
Physical Review Letters|September 13, 2002
First-principles study of the temperature-pressure phase diagram of BaTiO3Jorge Iñiguez, David Vanderbilt
Journal of Physics. Condensed Matter : an Institute of Physics Journal|June 22, 2011
Hydrogen-related catalytic effects of Ti and other light transition metals on NaAlH(4) surfacesJorge Iñiguez, Taner Yildirim
Neuroscience Letters|July 10, 1999
Isolated axons of Wlds mice regrow centralwardA Iñiguez, J Alvarez
ACS Chemical Biology|December 14, 2006
For a healthy histone code, a little SUMO in the tail keeps the acetyl awayJorge A Iñiguez-Lluhí
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