PEDRAZA GONZALEZ, LAURA MILENA Statistiche
PEDRAZA GONZALEZ, LAURA MILENA
DIPARTIMENTO DI CHIMICA E CHIMICA INDUSTRIALE
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
Ultrafast excited-state dynamics of Luteins in the major light-harvesting complex LHCII
2024-01-01 Pedraza-González, Laura; Accomasso, Davide; Cupellini, Lorenzo; Granucci, Giovanni; Mennucci, Benedetta
How the pH Controls Photoprotection in the Light-Harvesting Complex of Mosses
2023-01-01 Pedraza-González, Laura; Cignoni, Edoardo; D'Ascenzi, Jacopo; Cupellini, Lorenzo; Mennucci, Benedetta
Triterpene Derivatives as Potential Inhibitors of the RBD Spike Protein from SARS-CoV-2: An In Silico Approach
2023-01-01 Avelar, Mayra; Pedraza-González, Laura; Sinicropi, Adalgisa; Flores-Morales, Virginia
Automated QM/MM Screening of Rhodopsin Variants with Enhanced Fluorescence
2022-01-01 Pedraza-González, Laura; Barneschi, Leonardo; Marszałek, Michał; Padula, Daniele; Luca De Vico, ; Olivucci, Massimo
Evolution of the Automatic Rhodopsin Modeling (ARM) Protocol
2022-01-01 Pedraza-González, Laura; Barneschi, Leonardo; Padula, Daniele; De Vico, Luca; Olivucci, Massimo
Evolution of the Automatic Rhodopsin Modeling (ARM) Protocol
2022-01-01 Pedraza-González, Laura; Barneschi, Leonardo; Padula, Daniele; De Vico, Luca; Olivucci, Massimo
On the fluorescence enhancement of arch neuronal optogenetic reporters
2022-01-01 Barneschi, Leonardo; Marsili, Emanuele; Pedraza-González, Laura; Padula, Daniele; De Vico, Luca; Kaliakin, Danil; Blanco-González, Alejandro; Ferré, Nicolas; Huix-Rotllant, Miquel; Filatov, Michael; Olivucci, Massimo
Retinal chromophore charge delocalization and confinement explain the extreme photophysics of Neorhodopsin
2022-01-01 Palombo, Riccardo; Barneschi, Leonardo; Pedraza-González, Laura; Padula, Daniele; Schapiro, Igor; Olivucci, Massimo
The three-center two-positron bond
2022-01-01 Charry, Jorge; Moncada, Félix; Barborini, Matteo; Pedraza-González, Laura; Varella, Márcio T. do N.; Tkatchenko, Alexandre; Reyes, Andrés
Frontiers in Multiscale Modeling of Photoreceptor Proteins
2021-01-01 Mroginski, Maria‐andrea; Adam, Suliman; Amoyal, Gil S.; Barnoy, Avishai; Bondar, Ana‐nicoleta; Borin, Veniamin A.; Church, Jonathan R.; Domratcheva, Tatiana; Ensing, Bernd; Fanelli, Francesca; Ferré, Nicolas; Filiba, Ofer; Pedraza‐gonzález, Laura; González, Ronald; González‐espinoza, Cristina E.; Kar, Rajiv K.; Kemmler, Lukas; Kim, Seung Soo; Kongsted, Jacob; Krylov, Anna I.; Lahav, Yigal; Lazaratos, Michalis; Nassereddin, Qays; Navizet, Isabelle; Nemukhin, Alexander; Olivucci, Massimo; Olsen, Jógvan Magnus Haugaard; Pérez de Alba Ortíz, Alberto; Pieri, Elisa; Rao, Aditya G.; Rhee, Young Min; Ricardi, Niccolò; Sen, Saumik; Solov'Yov, Ilia A.; De Vico, Luca; Wesolowski, Tomasz A.; Wiebeler, Christian; Yang, Xuchun; Schapiro, Igor
On the Automatic Construction of QM/MM Models for Biological Photoreceptors: Rhodopsins as Model Systems
2021-01-01 Pedraza-González, Laura; Marín, María del Carmen; De Vico, Luca; Yang, Xuchun; Olivucci, Massimo
Pro219 is an electrostatic color determinant in the light-driven sodium pump KR2
2021-01-01 Nakajima, Yuta; Pedraza-González, Laura; Barneschi, Leonardo; Inoue, Keiichi; Olivucci, Massimo; Kandori, Hideki
Covalent bonds in positron dihalides
2020-01-01 Moncada, Félix; Pedraza-González, Laura; Charry, Jorge; do N. Varella, Márcio T.; Reyes, Andrés
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
Web-ARM: A Web-Based Interface for the Automatic Construction of QM/MM Models of Rhodopsins
2020-01-01 Pedraza-González, Laura; María Del Carmen Marín, ; Jorge, Alejandro N.; Ruck, Tyler D.; Yang, Xuchun; Valentini, Alessio; Olivucci, Massimo; Luca De Vico,
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; Marı́n, Marı́a del Carmen; Fanelli, Francesca; Olivucci, Massimo
Multistate Multiconfiguration Quantum Chemical Computation of the Two-Photon Absorption Spectra of Bovine Rhodopsin
2019-01-01 Gholami, Samira; Pedraza-González, Laura; Yang, Xuchun; Granovsky, Alexander A.; Ioffe, Ilya N.; Olivucci, Massimo
Fast and accurate prediction of proton affinities: revisiting the extended Koopmans' theorem for protons
2017-01-01 Pedraza-González, Laura; Charry, Jorge; Quintero, William; Alí-Torres, Jorge; Reyes, Andrés
On the physical interpretation of the nuclear molecular orbital energy
2017-01-01 Charry, Jorge; Pedraza-González, Laura; Reyes, Andrés
| Titolo | Data di pubblicazione | Autore(i) | File |
|---|---|---|---|
| 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 | |
| Ultrafast excited-state dynamics of Luteins in the major light-harvesting complex LHCII | 1-gen-2024 | Pedraza-González, Laura; Accomasso, Davide; Cupellini, Lorenzo; Granucci, Giovanni; Mennucci, Benedetta | |
| How the pH Controls Photoprotection in the Light-Harvesting Complex of Mosses | 1-gen-2023 | Pedraza-González, Laura; Cignoni, Edoardo; D'Ascenzi, Jacopo; Cupellini, Lorenzo; Mennucci, Benedetta | |
| Triterpene Derivatives as Potential Inhibitors of the RBD Spike Protein from SARS-CoV-2: An In Silico Approach | 1-gen-2023 | Avelar, Mayra; Pedraza-González, Laura; Sinicropi, Adalgisa; Flores-Morales, Virginia | |
| Automated QM/MM Screening of Rhodopsin Variants with Enhanced Fluorescence | 1-gen-2022 | Pedraza-González, Laura; Barneschi, Leonardo; Marszałek, Michał; Padula, Daniele; Luca De Vico, ; Olivucci, Massimo | |
| Evolution of the Automatic Rhodopsin Modeling (ARM) Protocol | 1-gen-2022 | Pedraza-González, Laura; Barneschi, Leonardo; Padula, Daniele; De Vico, Luca; Olivucci, Massimo | |
| Evolution of the Automatic Rhodopsin Modeling (ARM) Protocol | 1-gen-2022 | Pedraza-González, Laura; Barneschi, Leonardo; Padula, Daniele; De Vico, Luca; Olivucci, Massimo | |
| On the fluorescence enhancement of arch neuronal optogenetic reporters | 1-gen-2022 | Barneschi, Leonardo; Marsili, Emanuele; Pedraza-González, Laura; Padula, Daniele; De Vico, Luca; Kaliakin, Danil; Blanco-González, Alejandro; Ferré, Nicolas; Huix-Rotllant, Miquel; Filatov, Michael; Olivucci, Massimo | |
| Retinal chromophore charge delocalization and confinement explain the extreme photophysics of Neorhodopsin | 1-gen-2022 | Palombo, Riccardo; Barneschi, Leonardo; Pedraza-González, Laura; Padula, Daniele; Schapiro, Igor; Olivucci, Massimo | |
| The three-center two-positron bond | 1-gen-2022 | Charry, Jorge; Moncada, Félix; Barborini, Matteo; Pedraza-González, Laura; Varella, Márcio T. do N.; Tkatchenko, Alexandre; Reyes, Andrés | |
| Frontiers in Multiscale Modeling of Photoreceptor Proteins | 1-gen-2021 | Mroginski, Maria‐andrea; Adam, Suliman; Amoyal, Gil S.; Barnoy, Avishai; Bondar, Ana‐nicoleta; Borin, Veniamin A.; Church, Jonathan R.; Domratcheva, Tatiana; Ensing, Bernd; Fanelli, Francesca; Ferré, Nicolas; Filiba, Ofer; Pedraza‐gonzález, Laura; González, Ronald; González‐espinoza, Cristina E.; Kar, Rajiv K.; Kemmler, Lukas; Kim, Seung Soo; Kongsted, Jacob; Krylov, Anna I.; Lahav, Yigal; Lazaratos, Michalis; Nassereddin, Qays; Navizet, Isabelle; Nemukhin, Alexander; Olivucci, Massimo; Olsen, Jógvan Magnus Haugaard; Pérez de Alba Ortíz, Alberto; Pieri, Elisa; Rao, Aditya G.; Rhee, Young Min; Ricardi, Niccolò; Sen, Saumik; Solov'Yov, Ilia A.; De Vico, Luca; Wesolowski, Tomasz A.; Wiebeler, Christian; Yang, Xuchun; Schapiro, Igor | |
| On the Automatic Construction of QM/MM Models for Biological Photoreceptors: Rhodopsins as Model Systems | 1-gen-2021 | Pedraza-González, Laura; Marín, María del Carmen; De Vico, Luca; Yang, Xuchun; Olivucci, Massimo | |
| Pro219 is an electrostatic color determinant in the light-driven sodium pump KR2 | 1-gen-2021 | Nakajima, Yuta; Pedraza-González, Laura; Barneschi, Leonardo; Inoue, Keiichi; Olivucci, Massimo; Kandori, Hideki | |
| Covalent bonds in positron dihalides | 1-gen-2020 | Moncada, Félix; Pedraza-González, Laura; Charry, Jorge; do N. Varella, Márcio T.; Reyes, Andrés | |
| 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 | |
| Web-ARM: A Web-Based Interface for the Automatic Construction of QM/MM Models of Rhodopsins | 1-gen-2020 | Pedraza-González, Laura; María Del Carmen Marín, ; Jorge, Alejandro N.; Ruck, Tyler D.; Yang, Xuchun; Valentini, Alessio; Olivucci, Massimo; Luca De Vico, | |
| 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; Marı́n, Marı́a del Carmen; Fanelli, Francesca; Olivucci, Massimo | |
| Multistate Multiconfiguration Quantum Chemical Computation of the Two-Photon Absorption Spectra of Bovine Rhodopsin | 1-gen-2019 | Gholami, Samira; Pedraza-González, Laura; Yang, Xuchun; Granovsky, Alexander A.; Ioffe, Ilya N.; Olivucci, Massimo | |
| Fast and accurate prediction of proton affinities: revisiting the extended Koopmans' theorem for protons | 1-gen-2017 | Pedraza-González, Laura; Charry, Jorge; Quintero, William; Alí-Torres, Jorge; Reyes, Andrés | |
| On the physical interpretation of the nuclear molecular orbital energy | 1-gen-2017 | Charry, Jorge; Pedraza-González, Laura; Reyes, Andrés |