Shape of multireference, equation-of-motion coupled-cluster, and density functional theory potential energy surfaces at a conical intersection S Gozem, F Melaccio, A Valentini, M Filatov, M Huix-Rotllant, N Ferre, ... Journal of chemical theory and computation 10 (8), 3074-3084, 2014 | 205 | 2014 |
Mapping the excited state potential energy surface of a retinal chromophore model with multireference and equation-of-motion coupled-cluster methods S Gozem, F Melaccio, R Lindh, AI Krylov, AA Granovsky, C Angeli, ... Journal of Chemical Theory and Computation 9 (10), 4495-4506, 2013 | 98 | 2013 |
Using the computer to understand the chemistry of conical intersections I Schapiro, F Melaccio, EN Laricheva, M Olivucci Photochemical & Photobiological Sciences 10 (6), 867-886, 2011 | 91 | 2011 |
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 |
Comparison of the isomerization mechanisms of human melanopsin and invertebrate and vertebrate rhodopsins S Rinaldi, F Melaccio, S Gozem, F Fanelli, M Olivucci Proceedings of the National Academy of Sciences 111 (5), 1714-1719, 2014 | 73 | 2014 |
Quantum chemical modeling of rhodopsin mutants displaying switchable colors F Melaccio, N Ferré, M Olivucci Physical Chemistry Chemical Physics 14 (36), 12485-12495, 2012 | 72 | 2012 |
Unique QM/MM potential energy surface exploration using microiterations F Melaccio, M Olivucci, R Lindh, N Ferré International Journal of Quantum Chemistry 111 (13), 3339-3346, 2011 | 69 | 2011 |
Molecular bases for the selection of the chromophore of animal rhodopsins HL Luk, F Melaccio, S Rinaldi, S Gozem, M Olivucci Proceedings of the National Academy of Sciences 112 (50), 15297-15302, 2015 | 53 | 2015 |
Learning from photobiology how to design molecular devices using a computer S Gozem, F Melaccio, HL Luk, S Rinaldi, M Olivucci Chemical Society Reviews 43 (12), 4019-4036, 2014 | 46 | 2014 |
Computational photobiology and beyond I Schapiro, MN Ryazantsev, WJ Ding, MM Huntress, F Melaccio, ... Australian journal of chemistry 63 (3), 413-429, 2010 | 43 | 2010 |
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 |
Modulation of thermal noise and spectral sensitivity in Lake Baikal cottoid fish rhodopsins HL Luk, N Bhattacharyya, F Montisci, JM Morrow, F Melaccio, A Wada, ... Scientific Reports 6 (1), 38425, 2016 | 37 | 2016 |
Origin of Fluorescence in 11-cis Locked Bovine Rhodopsin EN Laricheva, S Gozem, S Rinaldi, F Melaccio, A Valentini, M Olivucci Journal of Chemical Theory and Computation 8 (8), 2559-2563, 2012 | 35 | 2012 |
A conical intersection controls the deactivation of the bacterial luciferase fluorophore S Gozem, E Mirzakulova, I Schapiro, F Melaccio, KD Glusac, M Olivucci Angewandte Chemie 126 (37), 10028-10033, 2014 | 30 | 2014 |
QM/MM investigation of the spectroscopic properties of the fluorophore of bacterial luciferase G Giuliani, F Melaccio, S Gozem, A Cappelli, M Olivucci Journal of chemical theory and computation 17 (2), 605-613, 2021 | 13 | 2021 |
Space and time evolution of the electrostatic potential during the activation of a visual pigment F Melaccio, N Calimet, I Schapiro, A Valentini, M Cecchini, M Olivucci The Journal of Physical Chemistry Letters 7 (13), 2563-2567, 2016 | 12 | 2016 |
Computational Photochemistry and Beyond I Shapiro, MN Ryasantsev, J DING W, M Huntress, F Melaccio, M Olivucci, ... AUSTRALIAN JOURNAL OF CHEMISTRY 63, 413-429, 2010 | 4 | 2010 |
Computational Photochemistry and Photobiology PZ El-Khoury, I Schapiro, M Huntress, F Melaccio, S Gozem, LM Frutos, ... CRC Handbook of Organic Photochemistry and Photobiology, Third Edition-Two …, 2019 | 3 | 2019 |
Comparative Quantum Chemical Studies of the Ultrafast Isomerization of Microbial, Invertebrate and Vertebrate Rhodopsins S Rinaldi, F Melaccio, HL Luk, S Gozem, M Olivucci International Conference on Ultrafast Phenomena, UM4A. 1, 2016 | | 2016 |
Modulation of thermal noise and spectral sensitivity in Lake Baikal cottoid fish rhodopsins. LHL Luk HoiLing, NB Nihar Bhattacharyya, F Montisci, JM Morrow, ... | | 2016 |