Orozco-Gonzalez Y - Search Results

1

Free Energy Computation for an Isomerizing Chromophore in a Molecular Cavity via the Average Solvent Electrostatic Configuration Model: Applications in Rhodopsin and Rhodopsin-Mimicking Systems.

Nikolaev DM, Manathunga M, Orozco-Gonzalez Y, Shtyrov AA, Guerrero Martínez YO, Gozem S, Ryazantsev MN, Coutinho K, Canuto S, Olivucci M. Nikolaev DM, et al. Among authors: orozco gonzalez y. J Chem Theory Comput. 2021 Sep 14;17(9):5885-5895. doi: 10.1021/acs.jctc.1c00221. Epub 2021 Aug 11. J Chem Theory Comput. 2021. PMID: 34379429

2

CASPT2 study of the potential energy surface of the HSO2 system.

Garrido JD, Ballester MY, Orozco-González Y, Canuto S. Garrido JD, et al. J Phys Chem A. 2011 Mar 10;115(9):1453-61. doi: 10.1021/jp108460v. Epub 2011 Feb 16. J Phys Chem A. 2011. PMID: 21323334

3

Theoretical study of the absorption and nonradiative deactivation of 1-nitronaphthalene in the low-lying singlet and triplet excited states including methanol and ethanol solvent effects.

Orozco-Gonzalez Y, Coutinho K, Peon J, Canuto S. Orozco-Gonzalez Y, et al. J Chem Phys. 2012 Aug 7;137(5):054307. doi: 10.1063/1.4738757. J Chem Phys. 2012. PMID: 22894348

4

Solvent effect on the Stokes shift and on the nonfluorescent decay of the daidzein molecular system.

Orozco-Gonzalez Y, Bistafa C, Canuto S. Orozco-Gonzalez Y, et al. J Phys Chem A. 2013 May 30;117(21):4404-11. doi: 10.1021/jp4021646. Epub 2013 May 17. J Phys Chem A. 2013. PMID: 23646994

5

Solvent Effects on the Dynamic Polarizability and Raman Response of Molecule-Metal Oxide Hybrid Clusters.

Orozco-Gonzalez Y, Tarakeshwar P, Canuto S, Mujica V. Orozco-Gonzalez Y, et al. Chemphyschem. 2016 Aug 18;17(16):2590-5. doi: 10.1002/cphc.201600164. Epub 2016 May 30. Chemphyschem. 2016. PMID: 27145884

6

Toward Automatic Rhodopsin Modeling as a Tool for High-Throughput Computational Photobiology.

Melaccio F, Del Carmen Marín M, Valentini A, Montisci F, Rinaldi S, Cherubini M, Yang X, Kato Y, Stenrup M, Orozco-Gonzalez Y, Ferré N, Luk HL, Kandori H, Olivucci M. Melaccio F, et al. J Chem Theory Comput. 2016 Dec 13;12(12):6020-6034. doi: 10.1021/acs.jctc.6b00367. Epub 2016 Nov 15. J Chem Theory Comput. 2016. PMID: 27779842

7

Impact of Electronic State Mixing on the Photoisomerization Time Scale of the Retinal Chromophore.

Manathunga M, Yang X, Orozco-Gonzalez Y, Olivucci M. Manathunga M, et al. J Phys Chem Lett. 2017 Oct 19;8(20):5222-5227. doi: 10.1021/acs.jpclett.7b02344. Epub 2017 Oct 11. J Phys Chem Lett. 2017. PMID: 28981285

8

An Average Solvent Electrostatic Configuration Protocol for QM/MM Free Energy Optimization: Implementation and Application to Rhodopsin Systems.

Orozco-Gonzalez Y, Manathunga M, Marín MDC, Agathangelou D, Jung KH, Melaccio F, Ferré N, Haacke S, Coutinho K, Canuto S, Olivucci M. Orozco-Gonzalez Y, et al. J Chem Theory Comput. 2017 Dec 12;13(12):6391-6404. doi: 10.1021/acs.jctc.7b00860. Epub 2017 Nov 21. J Chem Theory Comput. 2017. PMID: 29112449

9

Effect of point mutations on the ultrafast photo-isomerization of Anabaena sensory rhodopsin.

Agathangelou D, Orozco-Gonzalez Y, Del Carmen Marín M, Roy PP, Brazard J, Kandori H, Jung KH, Léonard J, Buckup T, Ferré N, Olivucci M, Haacke S. Agathangelou D, et al. Faraday Discuss. 2018 Apr 17;207(0):55-75. doi: 10.1039/c7fd00200a. Faraday Discuss. 2018. PMID: 29388996

10

Fluorescence Enhancement of a Microbial Rhodopsin via Electronic Reprogramming.

Marín MDC, Agathangelou D, Orozco-Gonzalez Y, Valentini A, Kato Y, Abe-Yoshizumi R, Kandori H, Choi A, Jung KH, Haacke S, Olivucci M. Marín MDC, et al. J Am Chem Soc. 2019 Jan 9;141(1):262-271. doi: 10.1021/jacs.8b09311. Epub 2018 Dec 28. J Am Chem Soc. 2019. PMID: 30532962 Free PMC article.

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