- -

Browsing by Author "Abellán, José L."

RiuNet: Institutional repository of the Polithecnic University of Valencia

Browsing by Author "Abellán, José L."

Sort by: Order: Results:

  • thumb
    METADOCK 2: a high-throughput parallel metaheuristic scheme for molecular docking 
    Imbernón, Baldomero; Serrano, Antonio; Bueno-Crespo, Andrés; Abellán, José L.; Pérez-Sánchez, Horacio; Cecilia-Canales, José María (Oxford University Press, 2020-01-21)
    [EN] Motivation Molecular docking methods are extensively used to predict the interaction between protein-ligand systems in terms of structure and binding affinity, through the optimization of a physics-based scoring ...
  • thumb
    QN-Docking: An innovative molecular docking methodology based on Q-Networks 
    Serrano, Antonio; Imbernón, Baldomero; Pérez-Sánchez, Horacio; Cecilia-Canales, José María; Bueno-Crespo, Andrés; Abellán, José L. (Elsevier, 2020-11)
    [EN] Molecular docking is often used in computational chemistry to accelerate drug discovery at early stages. Many molecular simulations are performed to select the right pharmacological candidate. However, traditional ...