Publicacións en colaboración con investigadores/as de University of Lorraine (8)

2021

  1. E/z molecular photoswitches activated by two-photon absorption: Comparison between different families

    Molecules, Vol. 26, Núm. 23

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

2017

  1. Level of theory and solvent effects on DASA absorption properties prediction: Comparing TD-DFT, CASPT2 and NEVPT2

    Materials, Vol. 10, Núm. 9

  2. Optomechanical Control of Quantum Yield in Trans–Cis Ultrafast Photoisomerization of a Retinal Chromophore Model

    Angewandte Chemie International, Vol. 56, Núm. 14, pp. 3842-3846

  3. Simulating the Electronic Circular Dichroism Spectra of Photoreversible Peptide Conformations

    Journal of Chemical Theory and Computation, Vol. 13, Núm. 7, pp. 3290-3296

2016

  1. A biomimetic molecular switch at work: coupling photoisomerization dynamics to peptide structural rearrangement

    Physical Chemistry Chemical Physics, Vol. 18, Núm. 9, pp. 6742-6753