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An artificial molecular switch that mimics the visual pigment and completes its photocycle in picoseconds.
Sinicropi A, Martin E, Ryazantsev M, Helbing J, Briand J, Sharma D, Léonard J, Haacke S, Cannizzo A, Chergui M, Zanirato V, Fusi S, Santoro F, Basosi R, Ferré N, Olivucci M. Sinicropi A, et al. Among authors: olivucci m. Proc Natl Acad Sci U S A. 2008 Nov 18;105(46):17642-7. doi: 10.1073/pnas.0802376105. Epub 2008 Nov 11. Proc Natl Acad Sci U S A. 2008. PMID: 19004797 Free PMC article.
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: olivucci m. 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
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. Among authors: olivucci m. 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
Evolution of the Automatic Rhodopsin Modeling (ARM) Protocol.
Pedraza-González L, Barneschi L, Padula D, De Vico L, Olivucci M. Pedraza-González L, et al. Among authors: olivucci m. Top Curr Chem (Cham). 2022 Mar 15;380(3):21. doi: 10.1007/s41061-022-00374-w. Top Curr Chem (Cham). 2022. PMID: 35291019 Free PMC article. Review.
Automated QM/MM Screening of Rhodopsin Variants with Enhanced Fluorescence.
Pedraza-González L, Barneschi L, Marszałek M, Padula D, De Vico L, Olivucci M. Pedraza-González L, et al. Among authors: olivucci m. J Chem Theory Comput. 2023 Jan 10;19(1):293-310. doi: 10.1021/acs.jctc.2c00928. Epub 2022 Dec 14. J Chem Theory Comput. 2023. PMID: 36516450
154 results