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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
On the fluorescence enhancement of arch neuronal optogenetic reporters.
Barneschi L, Marsili E, Pedraza-González L, Padula D, De Vico L, Kaliakin D, Blanco-González A, Ferré N, Huix-Rotllant M, Filatov M, Olivucci M. Barneschi L, et al. Among authors: olivucci m. Nat Commun. 2022 Oct 28;13(1):6432. doi: 10.1038/s41467-022-33993-4. Nat Commun. 2022. PMID: 36307417 Free PMC article.
Intrinsically Competitive Photoinduced Polycyclization and Double-Bond Shift through a Boatlike Conical Intersection This work was supported by the Università di Siena (P.A.R. 99/00), the Università di Bologna (MURST ex-60 %), NATO (CRG 950748), and HFSP (RG 0229/2000-M).
Garavelli M, Bernardi F, Moliner V, Olivucci M. Garavelli M, et al. Among authors: olivucci m. Angew Chem Int Ed Engl. 2001 Apr 17;40(8):1466-1468. Angew Chem Int Ed Engl. 2001. PMID: 11317304 No abstract available.
Quenching of tryptophan (1)(pi,pi*) fluorescence induced by intramolecular hydrogen abstraction via an aborted decarboxylation mechanism.
Blancafort L, González D, Olivucci M, Robb MA. Blancafort L, et al. Among authors: olivucci m. J Am Chem Soc. 2002 Jun 5;124(22):6398-406. doi: 10.1021/ja016915a. J Am Chem Soc. 2002. PMID: 12033871
For a (1)(n,pi*) model system reported earlier (Sinicropi, A.; Pogni, R.; Basosi, R.; Robb, M. A.; Gramlich, G.; Nau, W. M.; Olivucci, M. Angew. Chem., Int. Ed. 2001, 40, 4185-4189), the ground and the excited state of the chromophore are hydrogen acce …
For a (1)(n,pi*) model system reported earlier (Sinicropi, A.; Pogni, R.; Basosi, R.; Robb, M. A.; Gramlich, G.; Nau, W. M.; …
156 results