Publicaciones en colaboración con investigadores/as de Universidad Politécnica de Valencia (13)

2023

  1. Drug screening of α-amylase inhibitors as candidates for treating diabetes

    Journal of Cellular and Molecular Medicine, Vol. 27, Núm. 15, pp. 2249-2260

  2. Machine Learning Search for Suitable Structure Directing Agents for the Synthesis of Beta (BEA) Zeolite Using Molecular Topology and Monte Carlo Techniques

    AI-Guided Design and Property Prediction for Zeolites and Nanoporous Materials (wiley), pp. 61-80

2022

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

    Pharmaceuticals, Vol. 15, Núm. 1

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

  3. Targeting the JAK/STAT Pathway: A Combined Ligand- And Target-Based Approach

    Journal of Chemical Information and Modeling, Vol. 61, Núm. 6, pp. 3091-3108

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. Computational screening of structure directing agents for the synthesis of zeolites. A simplified model

    Zeitschrift fur Kristallographie - Crystalline Materials, Vol. 234, Núm. 7-8, pp. 451-460

2016

  1. Biodegradability Prediction of Fragrant Molecules by Molecular Topology

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

2008

  1. Some new trends in chemical graph theory

    Chemical Reviews, Vol. 108, Núm. 3, pp. 1127-1169