Publications (31) Cristina García Iriepa publications

2022

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

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

2021

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

    Molecules, Vol. 26, Núm. 23

  2. 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

2019

  1. Design and Synthesis of Metronidazole‐Based Photoswitches With Potential Biological Applications

    ChemPhotoChem, Vol. 3, Núm. 6, pp. 425-430

  2. Effect of protein conformation and AMP protonation state on fireflies’ bioluminescent emission

    Molecules, Vol. 24, Núm. 8

  3. From Light Absorption to Cyclization: Structure and Solvent Effects in Donor-Acceptor Stenhouse Adducts

    ChemPhotoChem, Vol. 3, Núm. 9, pp. 866-873

  4. Light emission colour modulation study of oxyluciferin synthetic analogues: Via QM and QM/MM approaches

    Physical Chemistry Chemical Physics, Vol. 22, Núm. 1, pp. 82-91

  5. Molecular simulations with in-deMon2k QM/MM, a tutorial-review

    Molecules, Vol. 24, Núm. 9

  6. Photocontrol of the citotoxic activity in cancer cells using new E / Z molecular switches

    X Jornada de Química CISQ

  7. Photoreactivity Control Mediated by Molecular Force Probes in Stilbene

    Journal of Physical Chemistry Letters, Vol. 10, Núm. 5, pp. 1063-1067

  8. Retinal inspired photoswitches: from the isomerization mechanisms toward recent applications

    Photoisomerization: causes, behavior, and effects (Nova Science Publishers), pp. 189-238

  9. The Puzzling Monopentamethylcyclopentadienyltitanium(III) Dichloride Reagent: Structure and Properties

    Inorganic Chemistry, Vol. 58, Núm. 8, pp. 5314-5324

  10. The role of solvation models on the computed absorption and emission spectra: The case of fireflies oxyluciferin

    Physical Chemistry Chemical Physics, Vol. 21, Núm. 8, pp. 4613-4623

  11. pH-Dependent Absorption Spectrum of Oxyluciferin Analogues in the Presence of Adenosine Monophosphate

    ChemPhotoChem, Vol. 3, Núm. 12, pp. 1219-1230

2017

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

    Materials, Vol. 10, Núm. 9