Publicaciones en las que colabora con MARIA GALVEZ LLOMPART (37)

2024

  1. Rational Design of a Potential New Nematicide Targeting Chitin Deacetylase

    Journal of Agricultural and Food Chemistry, Vol. 72, Núm. 5, pp. 2482-2491

2022

  1. COVID-19 and the Importance of Being Prepared: A Multidisciplinary Strategy for the Discovery of Antivirals to Combat Pandemics

    Biomedicines, Vol. 10, Núm. 6

  2. How Molecular Topology Can Help in Amyotrophic Lateral Sclerosis (ALS) Drug Development: A Revolutionary Paradigm for a Merciless Disease

    Pharmaceuticals, Vol. 15, Núm. 1

  3. Rational Design of Chitin Deacetylase Inhibitors for Sustainable Agricultural Use Based on Molecular Topology

    Journal of Agricultural and Food Chemistry, Vol. 70, Núm. 41, pp. 13118-13131

2021

  1. Computational analysis of macrolides as SARS-CoV-2 main protease inhibitors: A pattern recognition study based on molecular topology and validated by molecular docking

    New Journal of Chemistry, Vol. 45, Núm. 19, pp. 8654-8675

  2. Macrolides May Prevent Severe Acute Respiratory Syndrome Coronavirus 2 Entry into Cells: A Quantitative Structure Activity Relationship Study and Experimental Validation

    Journal of Chemical Information and Modeling, Vol. 61, Núm. 4, pp. 2016-2025

2020

  1. Drugs repurposing for coronavirus treatment: computational study based on molecular topology

    Nereis: revista iberoamericana interdisciplinar de métodos, modelización y simulación, Núm. 12, pp. 15-18

  2. Identification of New Templates for the Synthesis of BEA, BEC, and ISV Zeolites Using Molecular Topology and Monte Carlo Techniques

    Journal of chemical information and modeling, Vol. 60, Núm. 6, pp. 2819-2829

  3. Molecular Topology QSAR Strategy for Crop Protection: New Natural Fungicides with Chitin Inhibitory Activity

    ACS Omega, Vol. 5, Núm. 27, pp. 16358-16365

  4. What place does molecular topology have in today’s drug discovery?

    Expert Opinion on Drug Discovery, Vol. 15, Núm. 10, pp. 1133-1144

2019

  1. DesmoL2, an effective tool for the construction of molecular libraries and its application to QSAR using molecular topology

    Molecules, Vol. 24, Núm. 4

  2. Molecular topology and QSAR multi-target analysis to boost the in silico research for fungicides in agricultural chemistry

    Molecular Diversity, Vol. 23, Núm. 2, pp. 371-379

2018

  1. Alzheimer: A decade of drug design. Why molecular topology can be an extra edge?

    Current Neuropharmacology, Vol. 16, Núm. 6, pp. 849-864

2017

  1. Molecular topology: A new strategy for antimicrobial resistance control

    European Journal of Medicinal Chemistry, Vol. 137, pp. 233-246

  2. Molecular topology: a strategy to identify novel compounds against ulcerative colitis

    Molecular Diversity, Vol. 21, Núm. 1, pp. 219-234

  3. The past within the future. Graph eigenvalues as powerful discriminant variables in drug design

    Match, Vol. 78, Núm. 1, pp. 5-16

2016

  1. Biodegradability Prediction of Fragrant Molecules by Molecular Topology

    ACS Sustainable Chemistry and Engineering, Vol. 4, Núm. 8, pp. 4224-4231

2015

  1. Aplicación de topología molecular a la predicción de la actividad frente a Trypanosoma brucei rhodesiense de compuestos bicíclicos derivados de la 4-metilpiperazina

    Nereis: revista iberoamericana interdisciplinar de métodos, modelización y simulación, Núm. 7, pp. 27-38

  2. Basic Concepts and Applications of Molecular Topology to Drug Design

    Advances in Mathematical Chemistry and Applications: Revised Edition (Elsevier Inc.), pp. 161-195

  3. Basic Concepts and Applications of Molecular Topology to Drug Design

    Advances in Mathematical Chemistry and Applications: Volume 1 (Elsevier), pp. 161-195