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Federico Melaccio
Federico Melaccio
Rutherford Appleton Laboratory
Verified email at unisi.it
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Cited by
Cited by
Year
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 Ferré, ...
Journal of chemical theory and computation 10 (8), 3074-3084, 2014
1602014
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
842013
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
782011
Quantum chemical modeling of rhodopsin mutants displaying switchable colors
F Melaccio, N Ferré, M Olivucci
Physical Chemistry Chemical Physics 14 (36), 12485-12495, 2012
672012
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
572014
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
572011
Computational photobiology and beyond
I Schapiro, MN Ryazantsev, WJ Ding, MM Huntress, F Melaccio, ...
Australian journal of chemistry 63 (3), 413-429, 2010
462010
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
452016
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
402015
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
392014
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
302012
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), 1-9, 2016
282016
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
272017
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
232014
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
72016
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
32019
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
22021
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
Electronic progression during the photoisomerization of microbial and vertebrate light-sensing rhodopsins
HL Luk, S Gozem, F Melaccio, S Rinaldi, M Olivucci
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 249, 2015
2015
Molecular origin of color tuning of deepwater Lake Baikal cottoid fish visual pigments
HL Luk, F Montisci, F Melaccio, N Bhattacharyya, J Morrow, BSW Chang, ...
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 249, 2015
2015
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