MELACCIO, FEDERICO
MELACCIO, FEDERICO
Dipartimento di Biotecnologie, Chimica e Farmacia
A Conical Intersection Controls the Deactivation of the Bacterial Luciferase Fluorophore
2014-01-01 Gozem, S.; Mirzakulova, E.; Schapiro, I.; Melaccio, F.; Glusac, K. D.; Olivucci, M.
An average solvent electrostatic configuration protocol for QM/MM Free Energy Optimization: implementation and application to rhodopsin systems
2017-01-01 Orozco-Gonzalez, Yoelvis; Manathunga, Madushanka; Marín, María Del Carmen; Agathangelou, Damianos; Jung, Kwang-Hwan; Melaccio, Federico; Ferré, Nicolas; Haacke, Stefan; Coutinho, Kaline; Canuto, Sylvio; Olivucci, Massimo
Comparison of the isomerization mechanisms of human melanopsin and invertebrate and vertebrate rhodopsins
2014-01-01 Rinaldi, Silvia; Melaccio, Federico; Gozem, S.; Fanelli, F.; Olivucci, Massimo
Learning from photobiology how to design molecular devices using a computer
2014-01-01 Gozem, S.; Melaccio, Federico; Luk, H. L.; Rinaldi, Silvia; Olivucci, Massimo
Mapping the excited state potential energy surface of a retinal chromophore model with multireference and EOM-CC methods
2013-01-01 Gozem, S.; Melaccio, F.; Lindh, R.; Krylov, A. I.; Granovsky, A. A.; Angeli, C.; Olivucci, M.
Modulation of thermal noise and spectral sensitivity in Lake Baikal cottoid fish rhodopsins
2016-01-01 Luk, Hoi Ling; Bhattacharyya, Nihar; Montisci, Fabio; Morrow, James M.; Melaccio, Federico; Wada, Akimori; Sheves, Mudi; Fanelli, Francesca; Chang, Belinda S. W.; Olivucci, Massimo
Molecular bases for the selection of the chromophore of animal rhodopsins
2015-01-01 Luk, Hoi Ling; Melaccio, Federico; Rinaldi, Silvia; Gozem, Samer; Olivucci, Massimo
On the Shape of Multireference, EOM-CC, and DFT Potential Energy Surfaces at a Conical Intersection
2014-01-01 Gozem, S.; Melaccio, F.; Valentini, A.; Filatov, M.; Huix-Rotllant, M.; Ferré, N.; Frutos, L. M.; Angeli, C.; Krylov, A. I.; Granovsky, A. A.; Lindh, R.; Olivucci, M.
Quantum chemical modeling of rhodopsin mutants displaying switchable colors
2012-01-01 Melaccio, F.; Ferré, N.; Olivucci, M.
Space and Time Evolution of the Electrostatic Potential during the Activation of a Visual Pigment
2016-01-01 Melaccio, Federico; Calimet, Nicolas; Schapiro, Igor; Valentini, Alessio; Cecchini, Marco; Olivucci, Massimo
Toward Automatic Rhodopsin Modeling as a Tool for High-Throughput Computational Photobiology
2016-01-01 Melaccio, Federico; Del Carmen Marín, María; Valentini, Alessio; Montisci, Fabio; Rinaldi, Silvia; Cherubini, Marco; Yang, Xuchun; Kato, Yoshitaka; Stenrup, Michael; Orozco Gonzalez, Yoelvis; Ferre', NICOLAS LIONEL; Luk, Hoi Ling; Kandori, Hideki; Olivucci, Massimo
| Titolo | Data di pubblicazione | Autore(i) | File | Abstract |
|---|---|---|---|---|
| A Conical Intersection Controls the Deactivation of the Bacterial Luciferase Fluorophore | 1-gen-2014 | Gozem, S.; Mirzakulova, E.; Schapiro, I.; Melaccio, F.; Glusac, K. D.; Olivucci, M. | - | |
| An average solvent electrostatic configuration protocol for QM/MM Free Energy Optimization: implementation and application to rhodopsin systems | 1-gen-2017 | Orozco-Gonzalez, Yoelvis; Manathunga, Madushanka; Marín, María Del Carmen; Agathangelou, Damianos; Jung, Kwang-Hwan; Melaccio, Federico; Ferré, Nicolas; Haacke, Stefan; Coutinho, Kaline; Canuto, Sylvio; Olivucci, Massimo | - | |
| Comparison of the isomerization mechanisms of human melanopsin and invertebrate and vertebrate rhodopsins | 1-gen-2014 | Rinaldi, Silvia; Melaccio, Federico; Gozem, S.; Fanelli, F.; Olivucci, Massimo | - | |
| Learning from photobiology how to design molecular devices using a computer | 1-gen-2014 | Gozem, S.; Melaccio, Federico; Luk, H. L.; Rinaldi, Silvia; Olivucci, Massimo | - | |
| Mapping the excited state potential energy surface of a retinal chromophore model with multireference and EOM-CC methods | 1-gen-2013 | Gozem, S.; Melaccio, F.; Lindh, R.; Krylov, A. I.; Granovsky, A. A.; Angeli, C.; Olivucci, M. | - | |
| Modulation of thermal noise and spectral sensitivity in Lake Baikal cottoid fish rhodopsins | 1-gen-2016 | Luk, Hoi Ling; Bhattacharyya, Nihar; Montisci, Fabio; Morrow, James M.; Melaccio, Federico; Wada, Akimori; Sheves, Mudi; Fanelli, Francesca; Chang, Belinda S. W.; Olivucci, Massimo | - | |
| Molecular bases for the selection of the chromophore of animal rhodopsins | 1-gen-2015 | Luk, Hoi Ling; Melaccio, Federico; Rinaldi, Silvia; Gozem, Samer; Olivucci, Massimo | - | |
| On the Shape of Multireference, EOM-CC, and DFT Potential Energy Surfaces at a Conical Intersection | 1-gen-2014 | Gozem, S.; Melaccio, F.; Valentini, A.; Filatov, M.; Huix-Rotllant, M.; Ferré, N.; Frutos, L. M.; Angeli, C.; Krylov, A. I.; Granovsky, A. A.; Lindh, R.; Olivucci, M. | - | |
| Quantum chemical modeling of rhodopsin mutants displaying switchable colors | 1-gen-2012 | Melaccio, F.; Ferré, N.; Olivucci, M. | - | |
| Space and Time Evolution of the Electrostatic Potential during the Activation of a Visual Pigment | 1-gen-2016 | Melaccio, Federico; Calimet, Nicolas; Schapiro, Igor; Valentini, Alessio; Cecchini, Marco; Olivucci, Massimo | - | |
| Toward Automatic Rhodopsin Modeling as a Tool for High-Throughput Computational Photobiology | 1-gen-2016 | Melaccio, Federico; Del Carmen Marín, María; Valentini, Alessio; Montisci, Fabio; Rinaldi, Silvia; Cherubini, Marco; Yang, Xuchun; Kato, Yoshitaka; Stenrup, Michael; Orozco Gonzalez, Yoelvis; Ferre', NICOLAS LIONEL; Luk, Hoi Ling; Kandori, Hideki; Olivucci, Massimo | - |