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Titolo Data di pubblicazione Autore(i) File Abstract
Evidence for a vibrational phase-dependent isotope effect on the photochemistry of vision 1-gen-2018 Schnedermann, C.; Yang, X.; Liebel, M.; Spillane, K. M.; Lugtenburg, J.; Fernández, I.; Valentini, A.; Schapiro, I.; Olivucci, M.; Kukura, P.; Mathies, R. A. -
Engineering the vibrational coherence of vision into a synthetic molecular device 1-gen-2018 Gueye, Moussa; Manathunga, Madushanka; Agathangelou, Damianos; Orozco, Yoelvis; Paolino, Marco; Fusi, Stefania; Haacke, Stefan; Olivucci, Massimo; Leónard, Jérémie -
A Comparative Study of Modern Homology Modeling Algorithms for Rhodopsin Structure Prediction 1-gen-2018 Nikolaev, Dmitrii M.; Shtyrov, Andrey A.; Panov, Maxim S.; Jamal, Adeel; Chakchir, Oleg B.; Kochemirovsky, Vladimir A.; Olivucci, Massimo; Ryazantsev, Mikhail N. -
Effect of point mutations on the ultrafast photo-isomerization of Anabaena sensory rhodopsin 1-gen-2018 Agathangelou, D.; Orozco-Gonzalez, Y.; del Carmen Marín, M.; Roy, P. P.; Brazard, J.; Kandori, H.; Jung, K. -H.; Léonard, J.; Buckup, T.; Ferré, N.; Olivucci, M.; Haacke, S. -
Electronic State Mixing Controls the Photoreactivity of a Rhodopsin with all- trans Chromophore Analogues 1-gen-2018 Manathunga, Madushanka; Yang, Xuchun; Olivucci, Massimo -
Relationship between Excited State Lifetime and Isomerization Quantum Yield in Animal Rhodopsins: Beyond the One-Dimensional Landau-Zener Model 1-gen-2018 El-Tahawy, Mohsen M. T.; Nenov, Artur; Weingart, Oliver; Olivucci, Massimo; Garavelli, Marco -
Systematic Excited State Studies of Reversibly Switchable Fluorescent Proteins 1-gen-2018 Smyrnova, Daryna; MARIN PEREZ, MARIA DEL CARMEN; Olivucci, Massimo; Ceulemans, Arnout -
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 -
Theory and Simulation of the Ultrafast Double-Bond Isomerization of Biological Chromophores 1-gen-2017 Gozem, Samer; Luk, Hoi Ling; Schapiro, Igor; Olivucci, Massimo -
Optomechanical Control of Quantum Yield in Trans–Cis Ultrafast Photoisomerization of a Retinal Chromophore Model 1-gen-2017 Valentini, Alessio; Rivero, Daniel; Zapata, Felipe; García Iriepa, Cristina; Marazzi, Marco; Palmeiro, Raúl; Ignacio, F. d. e. z. Galván; Sampedro, Diego; Olivucci, Massimo; Frutos, Luis Manuel -
Impact of electronic state mixing on the photoisomerization time scale of the retinal chromophore 1-gen-2017 Manathunga, Madushanka; Yang, Xuchun; Orozco-Gonzalez, Yoelvis; 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 -
Mechanism of excited state deactivation of indan-1-ylidene and fluoren-9-ylidene malononitriles 1-gen-2016 Estrada, Leandro A.; Francés Monerris, Antonio; Schapiro, Igor; Olivucci, Massimo; Roca Sanjuán, Daniel -
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 -
Probing the Photodynamics of Rhodopsins with Reduced Retinal Chromophores 1-gen-2016 Manathunga, Madushanka; Yang, Xuchun; Luk, Hoi Ling; Gozem, Samer; Frutos, Luis Manuel; Valentini, Alessio; Ferrè, Nicolas; Olivucci, Massimo -
Design, Synthesis, and Dynamics of a Green Fluorescent Protein Fluorophore Mimic with an Ultrafast Switching Function 1-gen-2016 Paolino, Marco; Gueye, Moussa; Pieri, Elisa; Manathunga, Madushanka; Fusi, Stefania; Cappelli, Andrea; Latterini, Loredana; Pannacci, Danilo; Filatov, Michael; Léonard, Jérémie; Olivucci, Massimo -
Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table 1-gen-2016 Aquilante, Francesco; Autschbach, Jochen; Carlson, Rebecca K; Chibotaru, Liviu F; Delcey, Mickaël G; DE VICO, Luca; Fdez Galván, Ignacio; Ferré, Nicolas; Frutos, Luis Manuel; Gagliardi, Laura; Garavelli, Marco; Giussani, Angelo; Hoyer, Chad E; Li Manni, Giovanni; Lischka, Hans; Ma, Dongxia; Malmqvist, Per Åke; Müller, Thomas; Nenov, Artur; Olivucci, Massimo; Pedersen, Thomas Bondo; Peng, Daoling; Plasser, Felix; Pritchard, Ben; Reiher, Markus; Rivalta, Ivan; Schapiro, Igor; Segarra Martí, Javier; Stenrup, Michael; Truhlar, Donald G; Ungur, Liviu; Valentini, Alessio; Vancoillie, Steven; Veryazov, Valera; Vysotskiy, Victor P; Weingart, Oliver; Zapata, Felipe; Lindh, Roland -
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 -
Role of the Molecular Environment in Flavoprotein Color and Redox Tuning: QM Cluster versus QM/MM Modeling 1-gen-2015 Udvarhelyi, Anikó; Olivucci, Massimo; Domratcheva, Tatiana -
Directionality of Double-Bond Photoisomerization Dynamics Induced by a Single Stereogenic Center 1-gen-2015 Marchand, Gabriel; Eng, Julien; Schapiro, Igor; Valentini, Alessio; Frutos, Luis Manuel; Pieri, Elisa; Olivucci, Massimo; Léonard, Jérémie; Gindensperger, Etienne -
Mostrati risultati da 41 a 60 di 279
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