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Shape of Multireference, Equation-of-Motion Coupled-Cluster, and Density Functional Theory Potential Energy Surfaces at a Conical Intersection.
Gozem S, Melaccio F, Valentini A, Filatov M, Huix-Rotllant M, Ferré N, Frutos LM, Angeli C, Krylov AI, Granovsky AA, Lindh R, Olivucci M. Gozem S, et al. Among authors: melaccio f. J Chem Theory Comput. 2014 Aug 12;10(8):3074-84. doi: 10.1021/ct500154k. Epub 2014 Jun 11. J Chem Theory Comput. 2014. PMID: 26588278
Origin of Fluorescence in 11-cis Locked Bovine Rhodopsin.
Laricheva EN, Gozem S, Rinaldi S, Melaccio F, Valentini A, Olivucci M. Laricheva EN, et al. Among authors: melaccio f. J Chem Theory Comput. 2012 Aug 14;8(8):2559-63. doi: 10.1021/ct3002514. Epub 2012 Jul 31. J Chem Theory Comput. 2012. PMID: 26592102
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. Among authors: melaccio f. 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
Molecular bases for the selection of the chromophore of animal rhodopsins.
Luk HL, Melaccio F, Rinaldi S, Gozem S, Olivucci M. Luk HL, et al. Among authors: melaccio f. Proc Natl Acad Sci U S A. 2015 Dec 15;112(50):15297-302. doi: 10.1073/pnas.1510262112. Epub 2015 Nov 25. Proc Natl Acad Sci U S A. 2015. PMID: 26607446 Free PMC article.
14 results