Publicacions en col·laboració amb investigadors/es de Universidad de Alcalá (8)

2021

  1. Chapter 6: Computational Spectroscopy and Photophysics in Complex Biological Systems: Towards an in Silico Photobiology

    RSC Theoretical and Computational Chemistry Series (Royal Society of Chemistry), pp. 202-246

  2. Computational Spectroscopy and Photophysics in Complex Biological Systems: Towards an In Silico Photobiology

    COMPUTATIONAL TECHNIQUES FOR ANALYTICAL CHEMISTRY AND BIOANALYSIS (ROYAL SOC CHEMISTRY), pp. 202-246

  3. Microscopic interactions between ivermectin and key human and viral proteins involved in SARS-CoV-2 infection

    Physical Chemistry Chemical Physics, Vol. 23, Núm. 40, pp. 22957-22971

2020

  1. Molecular Basis of SARS-CoV-2 Infection and Rational Design of Potential Antiviral Agents: Modeling and Simulation Approaches

    Journal of Proteome Research, Vol. 19, Núm. 11, pp. 4291-4315

  2. Role of RNA Guanine Quadruplexes in Favoring the Dimerization of SARS Unique Domain in Coronaviruses

    Journal of Physical Chemistry Letters, Vol. 11, Núm. 14, pp. 5661-5667

  3. Thermodynamics of the Interaction between the Spike Protein of Severe Acute Respiratory Syndrome Coronavirus-2 and the Receptor of Human Angiotensin-Converting Enzyme 2. Effects of Possible Ligands

    The journal of physical chemistry letters, Vol. 11, Núm. 21, pp. 9272-9281

  4. Trans -to- cis photoisomerization of cyclocurcumin in different environments rationalized by computational photochemistry

    Physical Chemistry Chemical Physics, Vol. 22, Núm. 8, pp. 4749-4757

2019

  1. Ultrafast dynamics in polycyclic aromatic hydrocarbons: The key case of conical intersections at higher excited states and their role in the photophysics of phenanthrene monomer

    Physical Chemistry Chemical Physics, Vol. 21, Núm. 31, pp. 16981-16988