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Cristina García-Iriepa
Cristina García-Iriepa
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E/Z Photochemical switches: syntheses, properties and applications
C García-Iriepa, M Marazzi, LM Frutos, D Sampedro
RSC Advances 3 (18), 6241-6266, 2013
1032013
Mechanism and Scope of Phosphinidene Transfer from Dibenzo-7-phosphanorbornadiene Compounds
WJ Transue, A Velian, M Nava, C Garcia-Iriepa, M Temprado, ...
Journal of the American Chemical Society 139 (31), 10822-10831, 2017
942017
Rational Design and Synthesis of Efficient Sunscreens To Boost the Solar Protection Factor
R Losantos, I Funes‐Ardoiz, J Aguilera, E Herrera‐Ceballos, ...
Angewandte Chemie International Edition 56 (10), 2632-2635, 2017
842017
Molecular Basis of SARS-CoV-2 Infection and Rational Design of Potential Antiviral Agents: Modeling and Simulation Approaches
A Francés-Monerris, C Hognon, T Miclot, C García-Iriepa, I Iriepa, ...
Journal of Proteome Research, 2020
702020
Chiral hydrogen bond environment providing unidirectional rotation in photoactive molecular motors
C García-Iriepa, M Marazzi, F Zapata, A Valentini, D Sampedro, LM Frutos
The journal of physical chemistry letters 4 (9), 1389-1396, 2013
662013
Molecular Simulations with in-deMon2k QM/MM, a Tutorial-Review
A de la Lande, A Alvarez-Ibarra, K Hasnaoui, F Cailliez, X Wu, T Mineva, ...
Molecules 24 (9), 1653, 2019
452019
Tetrahydropyranodiquinolin-8-amines as new, non hepatotoxic, antioxidant, and acetylcholinesterase inhibitors for Alzheimer's disease therapy
Y Dgachi, O Sokolov, V Luzet, J Godyń, D Panek, A Bonet, H Martin, ...
European Journal of Medicinal Chemistry 126, 576-589, 2017
452017
Simulation and Analysis of the Spectroscopic Properties of Oxyluciferin and Its Analogues in Water
C García-Iriepa, P Gosset, R Berraud-Pache, M Zemmouche, G Taupier, ...
Journal of chemical theory and computation 14 (4), 2117-2126, 2018
432018
Hydantoin-Based Molecular Photoswitches
D Martinez-Lopez, ML Yu, C García-Iriepa, PJ Campos, LM Frutos, ...
The Journal of organic chemistry 80 (8), 3929-3939, 2015
422015
Thermodynamics of the Interaction between the Spike Protein of Severe Acute Respiratory Syndrome Coronavirus-2 and the Receptor of Human Angiotensin-Converting Enzyme 2 …
C García-Iriepa, C Hognon, A Francés-Monerris, I Iriepa, T Miclot, ...
The journal of physical chemistry letters 11, 9272-9281, 2020
362020
Role of RNA Guanine Quadruplexes in Favoring the Dimerization of SARS Unique Domain in Coronaviruses
C Hognon, T Miclot, CG Iriepa, A France-Monerris, S Grandemange, ...
bioRxiv, 2020
302020
Level of Theory and Solvent Effects on DASA Absorption Properties Prediction: Comparing TD-DFT, CASPT2 and NEVPT2
C García-Iriepa, M Marazzi
Materials 10 (9), 1025, 2017
272017
Optomechanical Control of Quantum Yield in TransCis Ultrafast Photoisomerization of a Retinal Chromophore Model
A Valentini, D Rivero, F Zapata, C García‐Iriepa, M Marazzi, R Palmeiro, ...
Angewandte Chemie International Edition 56 (14), 3842-3846, 2017
262017
The role of solvation models on the computed absorption and emission spectra: The case of fireflies oxyluciferin
C García-Iriepa, M Zemmouche, M Ponce-Vargas, I Navizet
Physical Chemistry Chemical Physics 21 (8), 4613-4623, 2019
252019
From Light Absorption to Cyclization: Structure and Solvent Effects in Donor‐Acceptor Stenhouse Adducts
MMDS Cristina García‐Iriepa
ChemPhotoChem, 2019
232019
A biomimetic molecular switch at work: coupling photoisomerization dynamics to peptide structural rearrangement
C García-Iriepa, M Gueye, J Léonard, D Martínez-López, PJ Campos, ...
Physical Chemistry Chemical Physics 18 (9), 6742-6753, 2016
222016
Simulating the Electronic Circular Dichroism Spectra of Photoreversible Peptide Conformations
H Gattuso, C García-Iriepa, D Sampedro, A Monari, M Marazzi
Journal of chemical theory and computation 13 (7), 3290-3296, 2017
202017
Photoreactivity Control Mediated by Molecular Force Probes in Stilbene
C García-Iriepa, D Sampedro, F Mendicuti, J Léonard, LM Frutos
The journal of physical chemistry letters 10 (5), 1063-1067, 2019
172019
Light emission colour modulation study of oxyluciferin synthetic analogues via QM and QM/MM approaches
M Zemmouche, C García-Iriepa, I Navizet
Physical Chemistry Chemical Physics, 2020
162020
Study of Model Systems for Bilirubin and Bilin Chromophores: Determination and Modification of Thermal and Photochemical Properties
C García-Iriepa, HA Ernst, Y Liang, AN Unterreiner, LM Frutos, ...
The Journal of Organic Chemistry 81 (15), 6292-6302, 2016
162016
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