MELACCIO, FEDERICO

MELACCIO, FEDERICO  

Dipartimento di Biotecnologie, Chimica e Farmacia  

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Titolo Data di pubblicazione Autore(i) File Abstract
A Conical Intersection Controls the Deactivation of the Bacterial Luciferase Fluorophore 1-gen-2014 Samer, Gozem; Ekaterina, Mirzakulova; Igor, Schapiro; Melaccio, Federico; Ksenija D., Glusac; Olivucci, Massimo -
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; S., Gozem; F., Fanelli; Olivucci, Massimo -
Learning from photobiology how to design molecular devices using a computer 1-gen-2014 S., Gozem; Melaccio, Federico; H. L., Luk; 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 Samer, Gozem; Melaccio, Federico; Roland, Lindh; Anna I., Krylov; Alexander A., Granovsky; Celestino, Angeli; Olivucci, Massimo -
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 Samer, Gozem; Melaccio, Federico; Valentini, Alessio; Michael, Filatov; Miquel Huix, Rotllant; Nicolas, Ferré; Luis Manuel, Frutos; Celestino, Angeli; Anna I., Krylov; Alexander A., Granovsky; Roland, Lindh; Olivucci, Massimo -
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 -