GUIDONI, LEONARDO
GUIDONI, LEONARDO
DIPARTIMENTO DI SCIENZE DI BASE ED APPLICATE PER L'INGEGNERIA
Atomistic simulations of GabR transcription factor at microsecond scale
2019 Frezzini, Mario; Francescato, Fabio; Maria Sciolari, Assia; Narzi, Daniele; Guidoni, Leonardo; Pascarella, Stefano
Conformational transitions induced by γ-amino butyrate binding in GabR, a bacterial transcriptional regulator
2019 Frezzini, Mario; Guidoni, Leonardo; Pascarella, Stefano
Environmental effects on vibrational properties of carotenoids: Experiments and calculations on peridinin
2011 Bovi, Daniele; Alberto, Mezzetti; Rodolphe, Vuilleumier; Marie Pierre, Gaigeot; Bertrand, Chazallon; Riccardo, Spezia; Guidoni, Leonardo
Fermi Resonance as a Tool for Probing Peridinin Environment
2014 Elizabeth, Kish; Maria Manuela Mendes, Pinto; Bovi, Daniele; Marie, Basire; Guidoni, Leonardo; Rodolphe, Vuilleumier; Bruno, Robert; Riccardo, Spezia; Alberto, Mezzetti
Hidden hydration structure of halide ions: an insight into the importance of lone pairs
2015 Sessa, Francesco; D'Angelo, Paola; Guidoni, Leonardo; Migliorati, Valentina
Investigation of the entry pathway and molecular nature of σ1 receptor ligands
2023 Pascarella, Gianmarco; Antonelli, Lorenzo; Narzi, Daniele; Battista, Theo; Fiorillo, Annarita; Colotti, Gianni; Guidoni, Leonardo; Morea, Veronica; Ilari, Andrea
Magnetic coupling constants and vibrational frequencies by extended broken symmetry approach with hybrid functionals
2012 Bovi, Daniele; Guidoni, Leonardo
Magnetic interactions in the catalyst used by nature to split water: a DFT plus U multiscale study on the Mn4CaO5 core in photosystem II
2014 Bovi, Daniele; Narzi, Daniele; Guidoni, Leonardo
Molecular dynamics simulation unveils the conformational flexibility of the interdomain linker in the bacterial transcriptional regulator GabR from Bacillus subtilis bound to pyridoxal 5'-phosphate
2017 Milano, Teresa; Gulzar, Adnan; Narzi, Daniele; Guidoni, Leonardo; Pascarella, Stefano
Molecular vibrations of Oxygen‐Evolving Complex and its synthetic mimic
2019 Tychengulova, Aliya; Capone, Matteo; Pitari, Fabio; Guidoni, Leonardo
On the comparison between differential vibrational spectroscopy spectra and theoretical data in the carboxyl region of photosystem II
2019 Capone, Matteo; Narzi, Daniele; Tychengulova, Aliya; Guidoni, Leonardo
Pathway for Mn-cluster oxidation by tyrosine-Z in the S2 state of photosystem II
2014 Narzi, Daniele; Bovi, Daniele; Guidoni, Leonardo
Prediction of Infrared Spectra of Ionic Liquids with ab initio Molecular Dynamics
2015 Bencivenni, Luigi; Bodo, Enrico; Bovi, Daniele; Campetella, Marco; Guidoni, Leonardo; Gontrani, Lorenzo; Masci, Giancarlo; Lupi, Stefano; Ramondo, Fabio; Tanzi, Luana
Protonated hexaazamacrocycles as selective K+ receptors
2015 Fraschetti, Caterina; Filippi, Antonello; Crestoni, Maria Elisa; Enrico, Marcantoni; Marco, Glucini; Guarcini, Laura; Montagna, Maria; Guidoni, Leonardo; Speranza, Maurizio
Structural and vibrational study of 2-MethoxyEthylAmmonium nitrate (2-OMeEAN): interpretation of experimental results with ab initio molecular dynamics
2016 Campetella, M.; Bovi, D.; Caminiti, R.; Guidoni, L.; Bencivenni, L.; Gontrani, L.
Structural basis of ubiquitination mediated by protein splicing in early Eukarya
2021 Chiarini, V.; Fiorillo, A.; Camerini, S.; Crescenzi, M.; Nakamura, S.; Battista, T.; Guidoni, L.; Colotti, G.; Ilari, A.
Tautomerism in liquid 1,2,3-triazole: a combined energy-dispersive X-ray diffraction, molecular dynamics, and FTIR study
2013 Bellagamba, Marco; Bencivenni, Luigi; Gontrani, Lorenzo; Guidoni, Leonardo; Sadun, Claudia
The impact of nitric oxide toxicity on the evolution of the glutathione transferase superfamily: A proposal for an evolutionary driving force
2013 A., Bocedi; R., Fabrini; A., Farrotti; L., Stella; A. J., Ketterman; J. Z., Pedersen; N., Allocati; P. C. K., Lau; S., Grosse; L. D., Eltis; A., Ruzzini; T. E., Edwards; L., Morici; E. D., Grosso; Guidoni, Leonardo; Bovi, Daniele; M. L., Bello; G., Federici; M. W., Parker; P. G., Board; G., Ricci
The S-2 State of the Oxygen-Evolving Complex of Photosystem II Explored by QM/MM Dynamics: Spin Surfaces and Metastable States Suggest a Reaction Path Towards the S-3 State
2013 Bovi, Daniele; Narzi, Daniele; Guidoni, Leonardo
Vibrational Signature of Water Molecules in Asymmetric Hydrogen Bonding Environments
2013 Chao, Zhang; Rustam Z., Khaliullin; Bovi, Daniele; Guidoni, Leonardo; Thomas D., Kuhne
| Titolo | Data di pubblicazione | Autore(i) | File |
|---|---|---|---|
| Atomistic simulations of GabR transcription factor at microsecond scale | 2019 | Frezzini, Mario; Francescato, Fabio; Maria Sciolari, Assia; Narzi, Daniele; Guidoni, Leonardo; Pascarella, Stefano | |
| Conformational transitions induced by γ-amino butyrate binding in GabR, a bacterial transcriptional regulator | 2019 | Frezzini, Mario; Guidoni, Leonardo; Pascarella, Stefano | |
| Environmental effects on vibrational properties of carotenoids: Experiments and calculations on peridinin | 2011 | Bovi, Daniele; Alberto, Mezzetti; Rodolphe, Vuilleumier; Marie Pierre, Gaigeot; Bertrand, Chazallon; Riccardo, Spezia; Guidoni, Leonardo | |
| Fermi Resonance as a Tool for Probing Peridinin Environment | 2014 | Elizabeth, Kish; Maria Manuela Mendes, Pinto; Bovi, Daniele; Marie, Basire; Guidoni, Leonardo; Rodolphe, Vuilleumier; Bruno, Robert; Riccardo, Spezia; Alberto, Mezzetti | |
| Hidden hydration structure of halide ions: an insight into the importance of lone pairs | 2015 | Sessa, Francesco; D'Angelo, Paola; Guidoni, Leonardo; Migliorati, Valentina | |
| Investigation of the entry pathway and molecular nature of σ1 receptor ligands | 2023 | Pascarella, Gianmarco; Antonelli, Lorenzo; Narzi, Daniele; Battista, Theo; Fiorillo, Annarita; Colotti, Gianni; Guidoni, Leonardo; Morea, Veronica; Ilari, Andrea | |
| Magnetic coupling constants and vibrational frequencies by extended broken symmetry approach with hybrid functionals | 2012 | Bovi, Daniele; Guidoni, Leonardo | |
| Magnetic interactions in the catalyst used by nature to split water: a DFT plus U multiscale study on the Mn4CaO5 core in photosystem II | 2014 | Bovi, Daniele; Narzi, Daniele; Guidoni, Leonardo | |
| Molecular dynamics simulation unveils the conformational flexibility of the interdomain linker in the bacterial transcriptional regulator GabR from Bacillus subtilis bound to pyridoxal 5'-phosphate | 2017 | Milano, Teresa; Gulzar, Adnan; Narzi, Daniele; Guidoni, Leonardo; Pascarella, Stefano | |
| Molecular vibrations of Oxygen‐Evolving Complex and its synthetic mimic | 2019 | Tychengulova, Aliya; Capone, Matteo; Pitari, Fabio; Guidoni, Leonardo | |
| On the comparison between differential vibrational spectroscopy spectra and theoretical data in the carboxyl region of photosystem II | 2019 | Capone, Matteo; Narzi, Daniele; Tychengulova, Aliya; Guidoni, Leonardo | |
| Pathway for Mn-cluster oxidation by tyrosine-Z in the S2 state of photosystem II | 2014 | Narzi, Daniele; Bovi, Daniele; Guidoni, Leonardo | |
| Prediction of Infrared Spectra of Ionic Liquids with ab initio Molecular Dynamics | 2015 | Bencivenni, Luigi; Bodo, Enrico; Bovi, Daniele; Campetella, Marco; Guidoni, Leonardo; Gontrani, Lorenzo; Masci, Giancarlo; Lupi, Stefano; Ramondo, Fabio; Tanzi, Luana | |
| Protonated hexaazamacrocycles as selective K+ receptors | 2015 | Fraschetti, Caterina; Filippi, Antonello; Crestoni, Maria Elisa; Enrico, Marcantoni; Marco, Glucini; Guarcini, Laura; Montagna, Maria; Guidoni, Leonardo; Speranza, Maurizio | |
| Structural and vibrational study of 2-MethoxyEthylAmmonium nitrate (2-OMeEAN): interpretation of experimental results with ab initio molecular dynamics | 2016 | Campetella, M.; Bovi, D.; Caminiti, R.; Guidoni, L.; Bencivenni, L.; Gontrani, L. | |
| Structural basis of ubiquitination mediated by protein splicing in early Eukarya | 2021 | Chiarini, V.; Fiorillo, A.; Camerini, S.; Crescenzi, M.; Nakamura, S.; Battista, T.; Guidoni, L.; Colotti, G.; Ilari, A. | |
| Tautomerism in liquid 1,2,3-triazole: a combined energy-dispersive X-ray diffraction, molecular dynamics, and FTIR study | 2013 | Bellagamba, Marco; Bencivenni, Luigi; Gontrani, Lorenzo; Guidoni, Leonardo; Sadun, Claudia | |
| The impact of nitric oxide toxicity on the evolution of the glutathione transferase superfamily: A proposal for an evolutionary driving force | 2013 | A., Bocedi; R., Fabrini; A., Farrotti; L., Stella; A. J., Ketterman; J. Z., Pedersen; N., Allocati; P. C. K., Lau; S., Grosse; L. D., Eltis; A., Ruzzini; T. E., Edwards; L., Morici; E. D., Grosso; Guidoni, Leonardo; Bovi, Daniele; M. L., Bello; G., Federici; M. W., Parker; P. G., Board; G., Ricci | |
| The S-2 State of the Oxygen-Evolving Complex of Photosystem II Explored by QM/MM Dynamics: Spin Surfaces and Metastable States Suggest a Reaction Path Towards the S-3 State | 2013 | Bovi, Daniele; Narzi, Daniele; Guidoni, Leonardo | |
| Vibrational Signature of Water Molecules in Asymmetric Hydrogen Bonding Environments | 2013 | Chao, Zhang; Rustam Z., Khaliullin; Bovi, Daniele; Guidoni, Leonardo; Thomas D., Kuhne |