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Molecules (Basel, Switzerland)|January 11, 2024
Marine Toxins as Pharmaceutical Treasure Troves: A Focus on Saxitoxin Derivatives from a Computational Point of ViewNorma Flores-Holguín, Joan S Salas-Leiva, Erick J Núñez-Vázquez, et al.Journal of Molecular Modeling|June 22, 2012
Computational study of Au_4 cluster on a carbon nanotube with and without defects using QM/MM methodologyDiana Barraza-Jimenez, D H Galvan, Alvaro Posada-Amarillas, et al.Journal of Molecular Modeling|September 24, 2025
Rational design of triphenylamine-based sensitizers for DSSCs: a DFT comparison of pyridine and amine donor substituentsDamián Delgado-Montiel, Norma Flores-Holguín, Jesús Baldenebro-López, et al.Journal of Molecular Graphics & Modelling|May 23, 2026
Unveiling the auxiliary acceptor role of azo spacers in triphenylamine-based sensitizers: A computational insight into spectral broadening and charge transfer mechanismsDamián Delgado-Montiel, Norma Flores-Holguín, Jesús Baldenebro-López, et al.Chemistry Central Journal|January 29, 2013
Experimental and quantum chemical studies of a novel synthetic prenylated chalconeJosé C Espinoza-Hicks, Alejandro A Camacho-Dávila, Norma R Flores-Holguín, et al.Acta Crystallographica. Section C, Structural Chemistry|April 6, 2018
Supramolecular arrangement and photophysical properties of a dinuclear cyanophenylboronic acid esterA Jaquelin Cárdenas-Valenzuela, Jesús Baldenebro-López, Jorge A Guerrero-Álvarez, et al.Acta Crystallographica. Section C, Structural Chemistry|March 4, 2017
Synthesis, crystal structure, DFT studies and photophysical properties of a copper(I)-triphenylphosphane complex based on trans-(±)-2,4,5-tris(pyridin-2-yl)-2-imidazolineAlberto Báez-Castro, Jesús Baldenebro-López, Laura Ceballos-Mendivil, et al.Journal of Molecular Modeling|July 5, 2022
An insight into reactivity and bioactivity properties of quorum sensing peptides against PDE10A: a computational peptidology approachBhargav Shreevatsa, Chandan Dharmashekara, Anisha S Jain, et al.ACS Omega|July 3, 2023
Preliminary Evaluation of Lablab purpureus Phytochemicals for Anti-BoHV-1 Activity Using In Vitro and In Silico ApproachesSmitha S Bhat, Sushma Pradeep, Sharanagouda S Patil, et al.Frontiers in Pharmacology|November 21, 2022
Anticholinesterase activity of Areca Catechu: In Vitro and in silico green synthesis approach in search for therapeutic agents against Alzheimer's diseaseSushma Pradeep, Samudyata C Prabhuswaminath, Pruthvish Reddy, et al.Pageof 10