Yoelvis Orozco Gonzalez
Yoelvis Orozco Gonzalez
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Toward automatic rhodopsin modeling as a tool for high-throughput computational photobiology
F Melaccio, M del Carmen Marín, A Valentini, F Montisci, S Rinaldi, ...
Journal of Chemical Theory and Computation 12 (12), 6020-6034, 2016
Engineering the vibrational coherence of vision into a synthetic molecular device
M Gueye, M Manathunga, D Agathangelou, Y Orozco, M Paolino, S Fusi, ...
Nature communications 9 (1), 313, 2018
Theoretical study of the absorption and nonradiative deactivation of 1-nitronaphthalene in the low-lying singlet and triplet excited states including methanol and ethanol …
Y Orozco-Gonzalez, K Coutinho, J Peon, S Canuto
The Journal of Chemical Physics 137 (5), 2012
Fluorescence enhancement of a microbial rhodopsin via electronic reprogramming
MC Marin, D Agathangelou, Y Orozco-Gonzalez, A Valentini, Y Kato, ...
Journal of the American Chemical Society 141 (1), 262-271, 2018
An average solvent electrostatic configuration protocol for Qm/mm free energy optimization: Implementation and application to rhodopsin systems
Y Orozco-Gonzalez, M Manathunga, MDC Marín, D Agathangelou, ...
Journal of chemical theory and computation 13 (12), 6391-6404, 2017
Electronic spectra of flavin in different redox and protonation states: a computational perspective on the effect of the electrostatic environment
MP Kabir, Y Orozco-Gonzalez, S Gozem
Physical Chemistry Chemical Physics 21 (30), 16526-16537, 2019
Impact of electronic state mixing on the photoisomerization time scale of the retinal chromophore
M Manathunga, X Yang, Y Orozco-Gonzalez, M Olivucci
The Journal of Physical Chemistry Letters 8 (20), 5222-5227, 2017
CASPT2 Study of the Potential Energy Surface of the HSO2 System
JD Garrido, MY Ballester, Y Orozco-González, S Canuto
The Journal of Physical Chemistry A 115 (9), 1453-1461, 2011
A quasiclassical trajectory study of the OH+ SO reaction: The role of rotational energy
MY Ballester, Y Orozco-Gonzalez, JD Garrido, HF Dos Santos
The Journal of chemical physics 132 (4), 2010
Electrostatic spectral tuning maps for biological chromophores
Y Orozco-Gonzalez, MP Kabir, S Gozem
The Journal of Physical Chemistry B 123 (23), 4813-4824, 2019
Fluorescence properties of flavin semiquinone radicals in nitronate monooxygenase
D Su, MP Kabir, Y Orozco‐Gonzalez, S Gozem, G Gadda
ChemBioChem 20 (13), 1646-1652, 2019
Effect of point mutations on the ultrafast photo-isomerization of Anabaena sensory rhodopsin
D Agathangelou, Y Orozco-Gonzalez, M del Carmen Marín, PP Roy, ...
Faraday Discussions 207, 55-75, 2018
Solvent effect on the Stokes shift and on the nonfluorescent decay of the daidzein molecular system
Y Orozco-Gonzalez, C Bistafa, S Canuto
The Journal of Physical Chemistry A 117 (21), 4404-4411, 2013
A new interpretation of the absorption and the dual fluorescence of Prodan in solution
CC Vequi-Suplicy, Y Orozco-Gonzalez, MT Lamy, S Canuto, K Coutinho
The Journal of Chemical Physics 153 (24), 2020
The effect of hydrogen-bonding on flavin’s infrared absorption spectrum
MP Kabir, Y Orozco-Gonzalez, G Hastings, S Gozem
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 262, 120110, 2021
A Single-Point Mutation in d-Arginine Dehydrogenase Unlocks a Transient Conformational State Resulting in Altered Cofactor Reactivity
A Iyer, RAG Reis, S Gannavaram, M Momin, AM Spring-Connell, ...
Biochemistry 60 (9), 711-724, 2021
Excited state electronic polarization and reappraisal of the n← π∗ emission of acetone in water
Y Orozco-González, K Coutinho, S Canuto
Chemical Physics Letters 499 (1-3), 108-112, 2010
Ionic atmosphere effect on the absorption spectrum of a flavoprotein: a reminder to consider solution ions
BD Dratch, Y Orozco-Gonzalez, G Gadda, S Gozem
The Journal of Physical Chemistry Letters 12 (34), 8384-8396, 2021
Free Energy Computation for an Isomerizing Chromophore in a Molecular Cavity via the Average Solvent Electrostatic Configuration Model: Applications in Rhodopsin and Rhodopsin …
DM Nikolaev, M Manathunga, Y Orozco-Gonzalez, AA Shtyrov, ...
Journal of Chemical Theory and Computation 17 (9), 5885-5895, 2021
Computational and spectroscopic characterization of the photocycle of an artificial rhodopsin
M Manathunga, AJ Jenkins, Y Orozco-Gonzalez, A Ghanbarpour, ...
The journal of physical chemistry letters 11 (11), 4245-4252, 2020
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