Sfoglia per Autore OLIVUCCI, MASSIMO
Morita−Baylis−Hillman Adduct Chemistry as a Tool for the Design of Lysine-Targeted Covalent Ligands
2025-01-01 Paolino, Marco; Tassone, Giusy; Governa, Paolo; Saletti, Mario; Lami, Matteo; Carletti, Riccardo; Sacchetta, Filippo; Pozzi, Cecilia; Orlandini, Maurizio; Manetti, Fabrizio; Olivucci, Massimo; Cappelli, Andrea
In Silico Study of a Bacteriorhodopsin/TiO2 Hybrid System at the Molecular Level
2025-01-01 Avelar, Mayra; Coppola, Carmen; D'Ettorre, Alessio; Ienco, Andrea; Parisi, Maria Laura; Basosi, Riccardo; Santucci, Annalisa; Olivucci, Massimo; Sinicropi, Adalgisa
Design, Synthesis, and Characterization of pH-Resettable Photoswitches Mimicking the GFP Fluorophore Structure
2025-01-01 Ferrara, N.; Giuliani, G.; Maimaris, M.; Prioli, S.; Manathunga, M.; Blancafort, L.; Léonard, J.; Cappelli, A.; Olivucci, M.; Paolino, M.
Archaerhodopsin 3 is an ideal template for the engineering of highly fluorescent optogenetic reporters
2025-01-01 Herasymenko, Krystyna; Walisinghe, Danushka; Konno, Masae; Barneschi, Leonardo; de Waele, Isabelle; Sliwa, Michel; Inoue, Keiichi; Olivucci, Massimo; Haacke, Stefan
Preparation of Light-responsive Unnatural RNA Bases via a Chromogenic Morita-Baylis-Hillman Adduct Path
2024-01-01 Lami, M.; Barneschi, L.; Saletti, M.; Olivucci, M.; Cappelli, A.; Paolino, M.
Impact of solvation on the photoisomerisation dynamics of a photon-only rotary molecular motor
2024-01-01 Filatov, Michael; Paolino, Marco; Kaliakin, Danil; Olivucci, Massimo; Kraka, Elfi; Min, Seung Kyu
Picosecond quantum-classical dynamics reveals that the coexistence of light-induced microbial and animal chromophore rotary motion modulates the isomerization quantum yield of heliorhodopsin
2024-01-01 Palombo, Riccardo; Barneschi, Leonardo; Pedraza-González, Laura; Yang, Xuchun; Olivucci, Massimo
In-silico predicted mouse melanopsins with blue spectral shifts deliver efficient subcellular signaling
2024-01-01 Wijayaratna, Dhanushan; Sacchetta, Filippo; Pedraza-González, Laura; Fanelli, Francesca; Sugihara, Tomohiro; Koyanagi, Mitsumasa; Piyawardana, Senuri; Ghotra, Kiran; Thotamune, Waruna; Terakita, Akihisa; Olivucci, Massimo; Karunarathne, Ajith
Comparative quantum-classical dynamics of natural and synthetic molecular rotors show how vibrational synchronization modulates the photoisomerization quantum efficiency
2024-01-01 Blanco-Gonzalez, Alejandro; Manathunga, Madushanka; Yang, Xuchun; Olivucci, Massimo
Basic Concepts of Electronic Excited States
2023-01-01 Olivucci, Massimo; Robb, Michael A.
Automatic Rhodopsin Modeling with Multiple Protonation Microstates
2023-01-01 Cárdenas, Gustavo; Ledentu, Vincent; Huix-Rotllant, Miquel; Olivucci, Massimo; Ferré, Nicolas
Comparative Study of Uracil Excited-State Photophysics in Water and Acetonitrile via RMS-CASPT2-Driven Quantum-Classical Trajectories
2023-01-01 Bezabih, Meseret Simachew; Kaliakin, Danil S.; Blanco-González, Alejandro; Barneschi, Leonardo; Tarnovsky, Alexander N.; Olivucci, Massimo
Experimental Assessment of the Electronic and Geometrical Structure of a Near-Infrared Absorbing and Highly Fluorescent Microbial Rhodopsin
2023-01-01 Broser, Matthias; Andruniów, Tadeusz; Kraskov, Anastasia; Palombo, Riccardo; Katz, Sagie; Kloz, Miroslav; Dostál, Jakub; Bernardo, César; Kennis, John T. M.; Hegemann, Peter; Olivucci, Massimo; Hildebrandt, Peter
Photoelectron spectroscopy of oppositely charged molecular switches in the aqueous phase: theory and experiment
2023-01-01 Ikonnikov, E; Paolino, M; Garcia-Alvarez, J C; Orozco-Gonzalez, Y; Granados, C; Röder, A; Léonard, J; Olivucci, M; Haacke, S; Kornilov, O; Gozem, S
Assessment of the Electron Correlation Treatment on the Quantum-Classical Dynamics of Retinal Protonated Schiff Base Models: XMS-CASPT2, RMS-CASPT2, and REKS Methods
2023-01-01 Barneschi, Leonardo; Kaliakin, Danil; Huix-Rotllant, Miquel; Ferré, Nicolas; Filatov(Gulak), Michael; Olivucci, Massimo
Automated QM/MM screening of rhodopsin variants with enhanced fluorescence
2023-01-01 Pedraza-González, Laura; Barneschi, Leonardo; Marszałek, Michał; Padula, Daniele; De Vico, Luca; Olivucci, Massimo
The OpenMolcas Web: a community-driven approach to advancing computational chemistry
2023-01-01 Li Manni, Giovanni; Fdez Galván, Ignacio; Alavi, Ali; Aleotti, Flavia; Aquilante, Francesco; Autschbach, Jochen; Avagliano, Davide; Baiardi, Alberto; Bao, Jie J; Battaglia, Stefano; Birnoschi, Letitia; Blanco-González, Alejandro; Bokarev, Sergey I; Broer, Ria; Cacciari, Roberto; Calio, Paul B; Carlson, Rebecca K; Carvalho Couto, Rafael; Cerdán, Luis; Chibotaru, Liviu F; Chilton, Nicholas F; Church, Jonathan Richard; Conti, Irene; Coriani, Sonia; Cuéllar-Zuquin, Juliana; Daoud, Razan; Dattani, Nike; Decleva, Piero; de Graaf, Coen; Delcey, Mickaël G; De Vico, Luca; Dobrautz, Werner; Dong, Sijia S; Feng, Rulin; Ferré, Nicolas; Filatov Gulak, Michael; Gagliardi, Laura; Garavelli, Marco; González, Leticia; Guan, Yafu; Guo, Meiyuan; Hennefarth, Matthew R; Hermes, Matthew R; Hoyer, Chad E; Huix-Rotllant, Miquel; Jaiswal, Vishal Kumar; Kaiser, Andy; Kaliakin, Danil S; Khamesian, Marjan; King, Daniel S; Kochetov, Vladislav; Krośnicki, Marek; Kumaar, Arpit Arun; Larsson, Ernst D; Lehtola, Susi; Lepetit, Marie-Bernadette; Lischka, Hans; López Ríos, Pablo; Lundberg, Marcus; Ma, Dongxia; Mai, Sebastian; Marquetand, Philipp; Merritt, Isabella C D; Montorsi, Francesco; Mörchen, Maximilian; Nenov, Artur; Nguyen, Vu Ha Anh; Nishimoto, Yoshio; Oakley, Meagan S; Olivucci, Massimo; Oppel, Markus; Padula, Daniele; Pandharkar, Riddhish; Phung, Quan Manh; Plasser, Felix; Raggi, Gerardo; Rebolini, Elisa; Reiher, Markus; Rivalta, Ivan; Roca-Sanjuán, Daniel; Romig, Thies; Safari, Arta Anushirwan; Sánchez-Mansilla, Aitor; Sand, Andrew M; Schapiro, Igor; Scott, Thais R; Segarra-Martí, Javier; Segatta, Francesco; Sergentu, Dumitru-Claudiu; Sharma, Prachi; Shepard, Ron; Shu, Yinan; Staab, Jakob K; Straatsma, Tjerk P; Sørensen, Lasse Kragh; Tenorio, Bruno Nunes Cabral; Truhlar, Donald G; Ungur, Liviu; Vacher, Morgane; Veryazov, Valera; Voß, Torben Arne; Weser, Oskar; Wu, Dihua; Yang, Xuchun; Yarkony, David; Zhou, Chen; Zobel, J Patrick; Lindh, Roland
From a one-mode to a multi-mode understanding of conical intersection mediated ultrafast organic photochemical reactions
2023-01-01 Boeije, Yorrick; Olivucci, Massimo
Design, synthesis and biological evaluation of light-driven on-off multitarget AChE and MAO-B inhibitors
2022-01-01 Paolino, Marco; Rullo, Mariagrazia; Maramai, Samuele; de Candia, Modesto; Pisani, Leonardo; Catto, Marco; Mugnaini, Claudia; Brizzi, Antonella; Cappelli, Andrea; Olivucci, Massimo; Corelli, Federico; Altomare, Cosimo D
Xanthopsin-like systems via site-specific click-functionalization of a retinoic acid binding protein
2022-01-01 Tassone, G.; Paolino, M.; Pozzi, C.; Reale, A.; Salvini, L.; Giorgi, G.; Orlandini, M.; Galvagni, F.; Mangani, S.; Yang, X.; Carlotti, B.; Ortica, F.; Latterini, L.; Olivucci, M.; Cappelli, A.
| Titolo | Data di pubblicazione | Autore(i) | File | Abstract |
|---|---|---|---|---|
| Morita−Baylis−Hillman Adduct Chemistry as a Tool for the Design of Lysine-Targeted Covalent Ligands | 1-gen-2025 | Paolino, Marco; Tassone, Giusy; Governa, Paolo; Saletti, Mario; Lami, Matteo; Carletti, Riccardo; Sacchetta, Filippo; Pozzi, Cecilia; Orlandini, Maurizio; Manetti, Fabrizio; Olivucci, Massimo; Cappelli, Andrea | - | |
| In Silico Study of a Bacteriorhodopsin/TiO2 Hybrid System at the Molecular Level | 1-gen-2025 | Avelar, Mayra; Coppola, Carmen; D'Ettorre, Alessio; Ienco, Andrea; Parisi, Maria Laura; Basosi, Riccardo; Santucci, Annalisa; Olivucci, Massimo; Sinicropi, Adalgisa | - | |
| Design, Synthesis, and Characterization of pH-Resettable Photoswitches Mimicking the GFP Fluorophore Structure | 1-gen-2025 | Ferrara, N.; Giuliani, G.; Maimaris, M.; Prioli, S.; Manathunga, M.; Blancafort, L.; Léonard, J.; Cappelli, A.; Olivucci, M.; Paolino, M. | - | |
| Archaerhodopsin 3 is an ideal template for the engineering of highly fluorescent optogenetic reporters | 1-gen-2025 | Herasymenko, Krystyna; Walisinghe, Danushka; Konno, Masae; Barneschi, Leonardo; de Waele, Isabelle; Sliwa, Michel; Inoue, Keiichi; Olivucci, Massimo; Haacke, Stefan | - | |
| Preparation of Light-responsive Unnatural RNA Bases via a Chromogenic Morita-Baylis-Hillman Adduct Path | 1-gen-2024 | Lami, M.; Barneschi, L.; Saletti, M.; Olivucci, M.; Cappelli, A.; Paolino, M. | - | |
| Impact of solvation on the photoisomerisation dynamics of a photon-only rotary molecular motor | 1-gen-2024 | Filatov, Michael; Paolino, Marco; Kaliakin, Danil; Olivucci, Massimo; Kraka, Elfi; Min, Seung Kyu | - | |
| Picosecond quantum-classical dynamics reveals that the coexistence of light-induced microbial and animal chromophore rotary motion modulates the isomerization quantum yield of heliorhodopsin | 1-gen-2024 | Palombo, Riccardo; Barneschi, Leonardo; Pedraza-González, Laura; Yang, Xuchun; Olivucci, Massimo | - | |
| In-silico predicted mouse melanopsins with blue spectral shifts deliver efficient subcellular signaling | 1-gen-2024 | Wijayaratna, Dhanushan; Sacchetta, Filippo; Pedraza-González, Laura; Fanelli, Francesca; Sugihara, Tomohiro; Koyanagi, Mitsumasa; Piyawardana, Senuri; Ghotra, Kiran; Thotamune, Waruna; Terakita, Akihisa; Olivucci, Massimo; Karunarathne, Ajith | - | |
| Comparative quantum-classical dynamics of natural and synthetic molecular rotors show how vibrational synchronization modulates the photoisomerization quantum efficiency | 1-gen-2024 | Blanco-Gonzalez, Alejandro; Manathunga, Madushanka; Yang, Xuchun; Olivucci, Massimo | - | |
| Basic Concepts of Electronic Excited States | 1-gen-2023 | Olivucci, Massimo; Robb, Michael A. | - | |
| Automatic Rhodopsin Modeling with Multiple Protonation Microstates | 1-gen-2023 | Cárdenas, Gustavo; Ledentu, Vincent; Huix-Rotllant, Miquel; Olivucci, Massimo; Ferré, Nicolas | - | |
| Comparative Study of Uracil Excited-State Photophysics in Water and Acetonitrile via RMS-CASPT2-Driven Quantum-Classical Trajectories | 1-gen-2023 | Bezabih, Meseret Simachew; Kaliakin, Danil S.; Blanco-González, Alejandro; Barneschi, Leonardo; Tarnovsky, Alexander N.; Olivucci, Massimo | - | |
| Experimental Assessment of the Electronic and Geometrical Structure of a Near-Infrared Absorbing and Highly Fluorescent Microbial Rhodopsin | 1-gen-2023 | Broser, Matthias; Andruniów, Tadeusz; Kraskov, Anastasia; Palombo, Riccardo; Katz, Sagie; Kloz, Miroslav; Dostál, Jakub; Bernardo, César; Kennis, John T. M.; Hegemann, Peter; Olivucci, Massimo; Hildebrandt, Peter | - | |
| Photoelectron spectroscopy of oppositely charged molecular switches in the aqueous phase: theory and experiment | 1-gen-2023 | Ikonnikov, E; Paolino, M; Garcia-Alvarez, J C; Orozco-Gonzalez, Y; Granados, C; Röder, A; Léonard, J; Olivucci, M; Haacke, S; Kornilov, O; Gozem, S | - | |
| Assessment of the Electron Correlation Treatment on the Quantum-Classical Dynamics of Retinal Protonated Schiff Base Models: XMS-CASPT2, RMS-CASPT2, and REKS Methods | 1-gen-2023 | Barneschi, Leonardo; Kaliakin, Danil; Huix-Rotllant, Miquel; Ferré, Nicolas; Filatov(Gulak), Michael; Olivucci, Massimo | - | |
| Automated QM/MM screening of rhodopsin variants with enhanced fluorescence | 1-gen-2023 | Pedraza-González, Laura; Barneschi, Leonardo; Marszałek, Michał; Padula, Daniele; De Vico, Luca; Olivucci, Massimo | - | |
| The OpenMolcas Web: a community-driven approach to advancing computational chemistry | 1-gen-2023 | Li Manni, Giovanni; Fdez Galván, Ignacio; Alavi, Ali; Aleotti, Flavia; Aquilante, Francesco; Autschbach, Jochen; Avagliano, Davide; Baiardi, Alberto; Bao, Jie J; Battaglia, Stefano; Birnoschi, Letitia; Blanco-González, Alejandro; Bokarev, Sergey I; Broer, Ria; Cacciari, Roberto; Calio, Paul B; Carlson, Rebecca K; Carvalho Couto, Rafael; Cerdán, Luis; Chibotaru, Liviu F; Chilton, Nicholas F; Church, Jonathan Richard; Conti, Irene; Coriani, Sonia; Cuéllar-Zuquin, Juliana; Daoud, Razan; Dattani, Nike; Decleva, Piero; de Graaf, Coen; Delcey, Mickaël G; De Vico, Luca; Dobrautz, Werner; Dong, Sijia S; Feng, Rulin; Ferré, Nicolas; Filatov Gulak, Michael; Gagliardi, Laura; Garavelli, Marco; González, Leticia; Guan, Yafu; Guo, Meiyuan; Hennefarth, Matthew R; Hermes, Matthew R; Hoyer, Chad E; Huix-Rotllant, Miquel; Jaiswal, Vishal Kumar; Kaiser, Andy; Kaliakin, Danil S; Khamesian, Marjan; King, Daniel S; Kochetov, Vladislav; Krośnicki, Marek; Kumaar, Arpit Arun; Larsson, Ernst D; Lehtola, Susi; Lepetit, Marie-Bernadette; Lischka, Hans; López Ríos, Pablo; Lundberg, Marcus; Ma, Dongxia; Mai, Sebastian; Marquetand, Philipp; Merritt, Isabella C D; Montorsi, Francesco; Mörchen, Maximilian; Nenov, Artur; Nguyen, Vu Ha Anh; Nishimoto, Yoshio; Oakley, Meagan S; Olivucci, Massimo; Oppel, Markus; Padula, Daniele; Pandharkar, Riddhish; Phung, Quan Manh; Plasser, Felix; Raggi, Gerardo; Rebolini, Elisa; Reiher, Markus; Rivalta, Ivan; Roca-Sanjuán, Daniel; Romig, Thies; Safari, Arta Anushirwan; Sánchez-Mansilla, Aitor; Sand, Andrew M; Schapiro, Igor; Scott, Thais R; Segarra-Martí, Javier; Segatta, Francesco; Sergentu, Dumitru-Claudiu; Sharma, Prachi; Shepard, Ron; Shu, Yinan; Staab, Jakob K; Straatsma, Tjerk P; Sørensen, Lasse Kragh; Tenorio, Bruno Nunes Cabral; Truhlar, Donald G; Ungur, Liviu; Vacher, Morgane; Veryazov, Valera; Voß, Torben Arne; Weser, Oskar; Wu, Dihua; Yang, Xuchun; Yarkony, David; Zhou, Chen; Zobel, J Patrick; Lindh, Roland | - | |
| From a one-mode to a multi-mode understanding of conical intersection mediated ultrafast organic photochemical reactions | 1-gen-2023 | Boeije, Yorrick; Olivucci, Massimo | - | |
| Design, synthesis and biological evaluation of light-driven on-off multitarget AChE and MAO-B inhibitors | 1-gen-2022 | Paolino, Marco; Rullo, Mariagrazia; Maramai, Samuele; de Candia, Modesto; Pisani, Leonardo; Catto, Marco; Mugnaini, Claudia; Brizzi, Antonella; Cappelli, Andrea; Olivucci, Massimo; Corelli, Federico; Altomare, Cosimo D | - | |
| Xanthopsin-like systems via site-specific click-functionalization of a retinoic acid binding protein | 1-gen-2022 | Tassone, G.; Paolino, M.; Pozzi, C.; Reale, A.; Salvini, L.; Giorgi, G.; Orlandini, M.; Galvagni, F.; Mangani, S.; Yang, X.; Carlotti, B.; Ortica, F.; Latterini, L.; Olivucci, M.; Cappelli, A. | - |
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