Browsing by Author Melaccio, Federico

Showing results 1 to 9 of 9
Issue DateTitleAuthor(s)Third Mission
2017An average solvent electrostatic configuration protocol for QM/MM Free Energy Optimization: implementation and application to rhodopsin systemsOrozco-Gonzalez, Yoelvis; Manathunga, Madushanka; Marin Perez, Maria Del Carmen ; Agathangelou, Damianos; Jung, Kwang-Hwan; Melaccio, Federico; Ferré, Nicolas; Haacke, Stefan; Coutinho, Kaline; Canuto, Sylvio; Olivucci, Massimo Not applicable
2014Comparison of the isomerization mechanisms of human melanopsin and invertebrate and vertebrate rhodopsinsRinaldi, Silvia; Melaccio, Federico; S., Gozem; F., Fanelli; Olivucci, Massimo Not applicable
2014A Conical Intersection Controls the Deactivation of the Bacterial Luciferase FluorophoreSamer, Gozem; Ekaterina, Mirzakulova; Igor, Schapiro; Melaccio, Federico; Ksenija D., Glusac; Olivucci, Massimo Not applicable
2014Learning from photobiology how to design molecular devices using a computerS., Gozem; Melaccio, Federico; H. L., Luk; Rinaldi, Silvia; Olivucci, Massimo Not applicable
2013Mapping the excited state potential energy surface of a retinal chromophore model with multireference and EOM-CC methodsSamer, Gozem; Melaccio, Federico; Roland, Lindh; Anna I., Krylov; Alexander A., Granovsky; Celestino, Angeli; Olivucci, Massimo Not applicable
2015Molecular bases for the selection of the chromophore of animal rhodopsinsLuk, Hoi Ling; Melaccio, Federico; Rinaldi, Silvia; Gozem, Samer; Olivucci, Massimo Not applicable
2014On the Shape of Multireference, EOM-CC, and DFT Potential Energy Surfaces at a Conical IntersectionSamer, 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 Not applicable
2016Space and Time Evolution of the Electrostatic Potential during the Activation of a Visual PigmentMelaccio, Federico; Calimet, Nicolas; Schapiro, Igor; Valentini, Alessio; Cecchini, Marco; Olivucci, Massimo Not applicable
2016Toward Automatic Rhodopsin Modeling as a Tool for High-Throughput Computational PhotobiologyMelaccio, Federico; Del Carmen Marín, María; Valentini, Alessio; Montisci, Fabio; Rinaldi, Silvia; Cherubini, Marco; Yang, Xuchun; Kato, Yoshitaka; Stenrup, Michael; Orozco-Gonzalez, Yoelvis; Ferré, Nicolas; Luk, Hoi Ling; Kandori, Hideki; Olivucci, Massimo Not applicable