Publicaciones (49) Publicaciones de Cristina García Iriepa

2023

  1. An Algorithm Predicting the Optimal Mechanical Response of Electronic Energy Difference

    Journal of Chemical Theory and Computation, Vol. 19, Núm. 18, pp. 6392-6401

  2. Introduction to molecular photophysics

    Theoretical and Computational Photochemistry: Fundamentals, Methods, Applications and Synergy with Experimental Approaches (Elsevier), pp. 3-49

  3. Preface

    Theoretical and Computational Photochemistry: Fundamentals, Methods, Applications and Synergy with Experimental Approaches

  4. Revealing the Molecular Interactions between Human ACE2 and the Receptor Binding Domain of the SARS-CoV-2 Wild-Type, Alpha and Delta Variants

    International Journal of Molecular Sciences, Vol. 24, Núm. 3

  5. Reversible Light-Induced Dimerization of Secondary Face Azobenzene-Functionalized β-Cyclodextrin Derivatives

    Journal of Organic Chemistry, Vol. 88, Núm. 13, pp. 8674-8689

  6. Theoretical and Computational Photochemistry: Fundamentals, Methods, Applications and Synergy with Experimental Approaches

    Elsevier, pp. 1-503

  7. Theoretical grounds in molecular photochemistry

    Theoretical and Computational Photochemistry: Fundamentals, Methods, Applications and Synergy with Experimental Approaches (Elsevier), pp. 51-66

  8. Unraveling the contributions to the spectral shape of flexible dyes in solution: insights on the absorption spectrum of an oxyluciferin analogue

    Physical Chemistry Chemical Physics, Vol. 25, Núm. 6, pp. 5007-5020

2022

  1. Atomistic-Level Description of the Covalent Inhibition of SARS-CoV-2 Papain-like Protease

    International Journal of Molecular Sciences, Vol. 23, Núm. 10

  2. Controlling Antimicrobial Activity of Quinolones Using Visible/NIR Light-Activated BODIPY Photocages

    Pharmaceutics, Vol. 14, Núm. 5, pp. 1070

  3. Interaction of a 1,3-Dicarbonyl Toxin with Ru(II)-Biimidazole Complexes for Luminescence Sensing: A Spectroscopic and Photochemical Experimental Study Rationalized by Time-Dependent Density Functional Theory Calculations

    Inorganic Chemistry, Vol. 61, Núm. 1, pp. 328-337

  4. Mechanical Activation of Forbidden Photoreactivity in Oxa-di-π-methane Rearrangement

    Journal of Organic Chemistry, Vol. 87, Núm. 19, pp. 12586-12595

2021

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

    Molecules, Vol. 26, Núm. 23

  2. 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

  3. π-Bridge Substitution in DASAs: The Subtle Equilibrium between Photochemical Improvements and Thermal Control**

    Chemistry - A European Journal, Vol. 27, Núm. 13, pp. 4420-4429

2020

  1. Fungal Light Emitter: Understanding Its Chemical Nature and pH-Dependent Emission in Water Solution

    Journal of Organic Chemistry, Vol. 85, Núm. 8, pp. 5503-5510

  2. 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

  3. 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

  4. The role of CO2 detachment in fungal bioluminescence: thermally vs. excited state induced pathways

    Physical chemistry chemical physics : PCCP, Vol. 22, Núm. 46, pp. 26787-26795

  5. 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