| 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 | 73 | 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 | 51 | 2018 |
| 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 | 49 | 2019 |
| 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 | 46 | 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 | 44 | 2012 |
| 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 | 41 | 2017 |
| 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 | 37 | 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 | 34 | 2011 |
| 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 | 32 | 2019 |
| 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 | 31 | 2019 |
| 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 | 27 | 2010 |
| 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 | 17 | 2018 |
| 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 | 16 | 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 | 15 | 2021 |
| 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 | 13 | 2013 |
| Alternative strategy for spectral tuning of flavin-binding fluorescent proteins MP Kabir, D Ouedraogo, Y Orozco-Gonzalez, G Gadda, S Gozem The Journal of Physical Chemistry B 127 (6), 1301-1311, 2023 | 12 | 2023 |
| 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 | 12 | 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 | 10 | 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 | 9 | 2010 |
| 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 | 8 | 2021 |
Sylvio CanutoInstituto de Física, Universidade de São Paulo確認したメール アドレス: if.usp.br
