Sfoglia per Autore
On the Transition from a Biomimetic Molecular Switch to a Rotary Molecular Motor
2021-01-01 Paolino, Marco; Giovannini, Tommaso; Manathunga, Madushanka; Latterini, Loredana; Zampini, Giulia; Pierron, Robin; Léonard, Jérémie; Fusi, Stefania; Giorgi, Gianluca; Giuliani, Germano; Cappelli, Andrea; Cappelli, Chiara; Olivucci, Massimo
Vibrational coherence and quantum yield of retinal-chromophore-inspired molecular switches†
2020-01-01 Gueye, M.; Paolino, M.; Gindensperger, E.; Haacke, S.; Olivucci, M.; Leonard, J.
Computational and Spectroscopic Characterization of the Photocycle of an Artificial Rhodopsin
2020-01-01 Manathunga, Madushanka; Jenkins, Adam J; Orozco-Gonzalez, Yoelvis; Ghanbarpour, Alireza; Borhan, Babak; Geiger, James H; Larsen, Delmar S; Olivucci, Massimo
Excited-State Vibronic Dynamics of Bacteriorhodopsin from Two-Dimensional Electronic Photon Echo Spectroscopy and Multiconfigurational Quantum Chemistry
2020-01-01 Gozem, Samer; Johnson, Philip J M; Halpin, Alexei; Luk, Hoi Ling; Morizumi, Takefumi; Prokhorenko, Valentyn I; Ernst, Oliver P; Olivucci, Massimo; Miller, R J Dwayne
Web-ARM: a Web-Based Interface for the Automatic Construction of QM/MM Models of Rhodopsins
2020-01-01 Pedraza-González, Laura; Marín, María Del Carmen; Jorge, Alejandro Nicolas; Ruck, Tyler Douglas; Yang, Xuchun; Valentini, Alessio; Olivucci, Massimo; De Vico, Luca
Quantum and Quantum-Classical Studies of the Photoisomerization of a Retinal Chromophore Model
2020-01-01 Marsili, E.; Olivucci, M.; Lauvergnat, D.; Agostini, F.
Modern quantum chemistry with [Open]Molcas
2020-01-01 Aquilante, Francesco; Autschbach, Jochen; Baiardi, Alberto; Battaglia, Stefano; Borin, Veniamin A.; Chibotaru, Liviu F.; Conti, Irene; De Vico, Luca; Delcey, Mickaël; Fdez. Galván, Ignacio; Ferré, Nicolas; Freitag, Leon; Garavelli, Marco; Gong, Xuejun; Knecht, Stefan; Larsson, Ernst D.; Lindh, Roland; Lundberg, Marcus; Malmqvist, Per Åke; Nenov, Artur; Norell, Jesper; Odelius, Michael; Olivucci, Massimo; Pedersen, Thomas B.; Pedraza-González, Laura; Phung, Quan M.; Pierloot, Kristine; Reiher, Markus; Schapiro, Igor; Segarra-Martí, Javier; Segatta, Francesco; Seijo, Luis; Sen, Saumik; Sergentu, Dumitru-Claudiu; Stein, Christopher J.; Ungur, Liviu; Vacher, Morgane; Valentini, Alessio; Veryazov, Valera
Vibrational coherence and quantum yield of retinal-chromophore-inspired molecular switches†
2019-01-01 Gueye, M.; Paolino, M.; Gindensperger, E.; Haacke, S.; Olivucci, M.; Leonard, J.
Bile Acid Binding Protein Functionalization Leads to a Fully Synthetic Rhodopsin Mimic
2019-01-01 Pagano, Katiuscia; Paolino, Marco; Fusi, Stefania; Zanirato, Vinicio; Trapella, Claudio; Giuliani, Germano; Cappelli, Andrea; Zanzoni, Serena; Molinari, Henriette; Ragona, Laura; Olivucci, Massimo
Structural characterization of a synthetic mimic of the Photoactive Yellow Protein
2019-01-01 Tassone, Giusy; Pozzi, Cecilia; Paolino, Marco; Orlandini, Maurizio; MARIN PEREZ, MARIA DEL CARMEN; Cappelli, Andrea; Olivucci, Massimo; Mangani, Stefano
Structural characterization of a synthetic mimic of the Photoactive Yellow Protein
2019-01-01 Tassone, G; Pozzi, C; Paolino, M; Orlandini, M; MARIN PEREZ, MARIA DEL CARMEN; Cappelli, A; Olivucci, M; Mangani, S
CpHMD-Then-QM/MM Identification of the Amino Acids Responsible for the Anabaena Sensory Rhodopsin pH-Dependent Electronic Absorption Spectrum
2019-01-01 Pieri, E.; Ledentu, V.; Sahlin, M.; Dehez, F.; Olivucci, M.; Ferre, N.
OpenMolcas: From Source Code to Insight
2019-01-01 Fde, z. Galvan I.; Vacher, M.; Alavi, A.; Angeli, C.; Aquilante, F.; Autschbach, J.; Bao, J. J.; Bokarev, S. I.; Bogdanov, N. A.; Carlson, R. K.; Chibotaru, L. F.; Creutzberg, J.; Dattani, N.; Delcey, M. G.; Dong, S. S.; Dreuw, A.; Freitag, L.; Frutos, L. M.; Gagliardi, L.; Gendron, F.; Giussani, A.; Gonzalez, L.; Grell, G.; Guo, M.; Hoyer, C. E.; Johansson, M.; Keller, S.; Knecht, S.; Kovacevic, G.; Kallman, E.; Li Manni, G.; Lundberg, M.; Ma, Y.; Mai, S.; Malhado, J. P.; Malmqvist, P. A.; Marquetand, P.; Mewes, S. A.; Norell, J.; Olivucci, M.; Oppel, M.; Phung, Q. M.; Pierloot, K.; Plasser, F.; Reiher, M.; Sand, A. M.; Schapiro, I.; Sharma, P.; Stein, C. J.; Sorensen, L. K.; Truhlar, D. G.; Ugandi, M.; Ungur, L.; Valentini, A.; Vancoillie, S.; Veryazov, V.; Weser, O.; Wesolowski, T. A.; Widmark, P. -O.; Wouters, S.; Zech, A.; Zobel, J. P.; Lindh, R.
a-ARM: Automatic Rhodopsin Modeling with Chromophore Cavity Generation, Ionization State Selection, and External Counterion Placement
2019-01-01 Pedraza-González, Laura; De Vico, Luca; MARIN PEREZ, MARIA DEL CARMEN; Fanelli, Francesca; Olivucci, Massimo
Red-shifting mutation of light-driven sodium-pump rhodopsin
2019-01-01 Inoue, K.; Marín, María Del Carmen; Tomida, S.; Nakamura, R.; Nakajima, Y.; Olivucci, M.; Kandori, H.
Assessment of MC-PDFT Excitation Energies for a Set of QM/MM Models of Rhodopsins
2019-01-01 Marín, María Del Carmen; De Vico, Luca; Dong, Sijia S.; Gagliardi, Laura; Truhlar, Donald G.; Olivucci, Massimo
Fluorescence enhancement of a microbial rhodopsin via electronic reprogramming
2019-01-01 Marín, María Del Carmen; Agathangelou, Damianos; Orozco-Gonzalez, Yoelvis; Valentini, Alessio; Kato, Yoshitaka; Abe-Yoshizumi, Rei; Kandori, Hideki; Choi, Ahreum; Jung, Kwang-Hwan; Haacke, Stefan; Olivucci, Massimo
Synthesis, spectroscopy and QM/MM simulations of a biomimetic ultrafast light-driven molecular motor
2019-01-01 Schapiro, I.; Gueye, M.; Paolino, M.; Fusi, S.; Marchand, G.; Haacke, S.; Martin, M. E.; Huntress, M.; Vysotskiy, V. P.; Veryazov, V.; Leonard, J.; Olivucci, M.
Multistate Multiconfiguration Quantum Chemical Computation of the Two-Photon Absorption Spectra of Bovine Rhodopsin
2019-01-01 Gholami, S.; Pedraza-Gonzalez, L.; Yang, X.; Granovsky, A. A.; Ioffe, I. N.; Olivucci, M.
Two-State, Three-Mode Parametrization of the Force Field of a Retinal Chromophore Model
2019-01-01 Marsili, Emanuele; Farag, Marwa H.; Yang, Xuchun; De Vico, Luca; Olivucci, Massimo
| Titolo | Data di pubblicazione | Autore(i) | File | Abstract |
|---|---|---|---|---|
| On the Transition from a Biomimetic Molecular Switch to a Rotary Molecular Motor | 1-gen-2021 | Paolino, Marco; Giovannini, Tommaso; Manathunga, Madushanka; Latterini, Loredana; Zampini, Giulia; Pierron, Robin; Léonard, Jérémie; Fusi, Stefania; Giorgi, Gianluca; Giuliani, Germano; Cappelli, Andrea; Cappelli, Chiara; Olivucci, Massimo | - | |
| Vibrational coherence and quantum yield of retinal-chromophore-inspired molecular switches† | 1-gen-2020 | Gueye, M.; Paolino, M.; Gindensperger, E.; Haacke, S.; Olivucci, M.; Leonard, J. | - | |
| Computational and Spectroscopic Characterization of the Photocycle of an Artificial Rhodopsin | 1-gen-2020 | Manathunga, Madushanka; Jenkins, Adam J; Orozco-Gonzalez, Yoelvis; Ghanbarpour, Alireza; Borhan, Babak; Geiger, James H; Larsen, Delmar S; Olivucci, Massimo | - | |
| Excited-State Vibronic Dynamics of Bacteriorhodopsin from Two-Dimensional Electronic Photon Echo Spectroscopy and Multiconfigurational Quantum Chemistry | 1-gen-2020 | Gozem, Samer; Johnson, Philip J M; Halpin, Alexei; Luk, Hoi Ling; Morizumi, Takefumi; Prokhorenko, Valentyn I; Ernst, Oliver P; Olivucci, Massimo; Miller, R J Dwayne | - | |
| Web-ARM: a Web-Based Interface for the Automatic Construction of QM/MM Models of Rhodopsins | 1-gen-2020 | Pedraza-González, Laura; Marín, María Del Carmen; Jorge, Alejandro Nicolas; Ruck, Tyler Douglas; Yang, Xuchun; Valentini, Alessio; Olivucci, Massimo; De Vico, Luca | - | |
| Quantum and Quantum-Classical Studies of the Photoisomerization of a Retinal Chromophore Model | 1-gen-2020 | Marsili, E.; Olivucci, M.; Lauvergnat, D.; Agostini, F. | - | |
| Modern quantum chemistry with [Open]Molcas | 1-gen-2020 | Aquilante, Francesco; Autschbach, Jochen; Baiardi, Alberto; Battaglia, Stefano; Borin, Veniamin A.; Chibotaru, Liviu F.; Conti, Irene; De Vico, Luca; Delcey, Mickaël; Fdez. Galván, Ignacio; Ferré, Nicolas; Freitag, Leon; Garavelli, Marco; Gong, Xuejun; Knecht, Stefan; Larsson, Ernst D.; Lindh, Roland; Lundberg, Marcus; Malmqvist, Per Åke; Nenov, Artur; Norell, Jesper; Odelius, Michael; Olivucci, Massimo; Pedersen, Thomas B.; Pedraza-González, Laura; Phung, Quan M.; Pierloot, Kristine; Reiher, Markus; Schapiro, Igor; Segarra-Martí, Javier; Segatta, Francesco; Seijo, Luis; Sen, Saumik; Sergentu, Dumitru-Claudiu; Stein, Christopher J.; Ungur, Liviu; Vacher, Morgane; Valentini, Alessio; Veryazov, Valera | - | |
| Vibrational coherence and quantum yield of retinal-chromophore-inspired molecular switches† | 1-gen-2019 | Gueye, M.; Paolino, M.; Gindensperger, E.; Haacke, S.; Olivucci, M.; Leonard, J. | - | |
| Bile Acid Binding Protein Functionalization Leads to a Fully Synthetic Rhodopsin Mimic | 1-gen-2019 | Pagano, Katiuscia; Paolino, Marco; Fusi, Stefania; Zanirato, Vinicio; Trapella, Claudio; Giuliani, Germano; Cappelli, Andrea; Zanzoni, Serena; Molinari, Henriette; Ragona, Laura; Olivucci, Massimo | - | |
| Structural characterization of a synthetic mimic of the Photoactive Yellow Protein | 1-gen-2019 | Tassone, Giusy; Pozzi, Cecilia; Paolino, Marco; Orlandini, Maurizio; MARIN PEREZ, MARIA DEL CARMEN; Cappelli, Andrea; Olivucci, Massimo; Mangani, Stefano | - | |
| Structural characterization of a synthetic mimic of the Photoactive Yellow Protein | 1-gen-2019 | Tassone, G; Pozzi, C; Paolino, M; Orlandini, M; MARIN PEREZ, MARIA DEL CARMEN; Cappelli, A; Olivucci, M; Mangani, S | - | |
| CpHMD-Then-QM/MM Identification of the Amino Acids Responsible for the Anabaena Sensory Rhodopsin pH-Dependent Electronic Absorption Spectrum | 1-gen-2019 | Pieri, E.; Ledentu, V.; Sahlin, M.; Dehez, F.; Olivucci, M.; Ferre, N. | - | |
| OpenMolcas: From Source Code to Insight | 1-gen-2019 | Fde, z. Galvan I.; Vacher, M.; Alavi, A.; Angeli, C.; Aquilante, F.; Autschbach, J.; Bao, J. J.; Bokarev, S. I.; Bogdanov, N. A.; Carlson, R. K.; Chibotaru, L. F.; Creutzberg, J.; Dattani, N.; Delcey, M. G.; Dong, S. S.; Dreuw, A.; Freitag, L.; Frutos, L. M.; Gagliardi, L.; Gendron, F.; Giussani, A.; Gonzalez, L.; Grell, G.; Guo, M.; Hoyer, C. E.; Johansson, M.; Keller, S.; Knecht, S.; Kovacevic, G.; Kallman, E.; Li Manni, G.; Lundberg, M.; Ma, Y.; Mai, S.; Malhado, J. P.; Malmqvist, P. A.; Marquetand, P.; Mewes, S. A.; Norell, J.; Olivucci, M.; Oppel, M.; Phung, Q. M.; Pierloot, K.; Plasser, F.; Reiher, M.; Sand, A. M.; Schapiro, I.; Sharma, P.; Stein, C. J.; Sorensen, L. K.; Truhlar, D. G.; Ugandi, M.; Ungur, L.; Valentini, A.; Vancoillie, S.; Veryazov, V.; Weser, O.; Wesolowski, T. A.; Widmark, P. -O.; Wouters, S.; Zech, A.; Zobel, J. P.; Lindh, R. | - | |
| a-ARM: Automatic Rhodopsin Modeling with Chromophore Cavity Generation, Ionization State Selection, and External Counterion Placement | 1-gen-2019 | Pedraza-González, Laura; De Vico, Luca; MARIN PEREZ, MARIA DEL CARMEN; Fanelli, Francesca; Olivucci, Massimo | - | |
| Red-shifting mutation of light-driven sodium-pump rhodopsin | 1-gen-2019 | Inoue, K.; Marín, María Del Carmen; Tomida, S.; Nakamura, R.; Nakajima, Y.; Olivucci, M.; Kandori, H. | - | |
| Assessment of MC-PDFT Excitation Energies for a Set of QM/MM Models of Rhodopsins | 1-gen-2019 | Marín, María Del Carmen; De Vico, Luca; Dong, Sijia S.; Gagliardi, Laura; Truhlar, Donald G.; Olivucci, Massimo | - | |
| Fluorescence enhancement of a microbial rhodopsin via electronic reprogramming | 1-gen-2019 | Marín, María Del Carmen; Agathangelou, Damianos; Orozco-Gonzalez, Yoelvis; Valentini, Alessio; Kato, Yoshitaka; Abe-Yoshizumi, Rei; Kandori, Hideki; Choi, Ahreum; Jung, Kwang-Hwan; Haacke, Stefan; Olivucci, Massimo | - | |
| Synthesis, spectroscopy and QM/MM simulations of a biomimetic ultrafast light-driven molecular motor | 1-gen-2019 | Schapiro, I.; Gueye, M.; Paolino, M.; Fusi, S.; Marchand, G.; Haacke, S.; Martin, M. E.; Huntress, M.; Vysotskiy, V. P.; Veryazov, V.; Leonard, J.; Olivucci, M. | - | |
| Multistate Multiconfiguration Quantum Chemical Computation of the Two-Photon Absorption Spectra of Bovine Rhodopsin | 1-gen-2019 | Gholami, S.; Pedraza-Gonzalez, L.; Yang, X.; Granovsky, A. A.; Ioffe, I. N.; Olivucci, M. | - | |
| Two-State, Three-Mode Parametrization of the Force Field of a Retinal Chromophore Model | 1-gen-2019 | Marsili, Emanuele; Farag, Marwa H.; Yang, Xuchun; De Vico, Luca; Olivucci, Massimo | - |
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