GUIDONI, LEONARDO
GUIDONI, LEONARDO
Dipartimento di Scienze fisiche e chimiche
Investigation of the Entry Pathway and Molecular Nature of σ1 Receptor Ligands
2023-01-01 Pascarella, Gianmarco; Antonelli, Lorenzo; Narzi, Daniele; Battista, Theo; Fiorillo, Annarita; Colotti, Gianni; Guidoni, Leonardo; Morea, Veronica; Ilari, Andrea
Molecular dynamics simulations and kinetic measurements provide insights into the structural requirements of substrate size-dependent specificity of oligogalacturonide oxidase 1 (OGOX1)
2023-01-01 Frezzini, Mario; Scortica, Anna; Capone, Matteo; Narzi, Daniele; Benedetti, Manuel; Angelucci, Francesco; Mattei, MARIA BENEDETTA; Guidoni, Leonardo
Optimization strategies in WAHTOR algorithm for quantum computing empirical ansatz: a comparative study
2023-01-01 Ratini, L.; Capecci, C.; Guidoni, L.
Pulse variational quantum eigensolver on cross-resonance-based hardware
2023-01-01 Egger, D. J.; Capecci, C.; Pokharel, B.; Barkoutsos, P. K.; Fischer, L. E.; Guidoni, L.; Tavernelli, I.
The electron-proton bottleneck of photosynthetic oxygen evolution
2023-01-01 Greife, Paul; Schönborn, Matthias; Capone, Matteo; Assunção, Ricardo; Narzi, Daniele; Guidoni, Leonardo; Dau, Holger
Wave Function Adapted Hamiltonians for Quantum Computing
2022-01-01 Ratini, Leonardo; Capecci, Chiara; Benfenati, Francesco; Guidoni, Leonardo
Structural and dynamic insights into Mn4Ca cluster-depleted Photosystem II
2021-01-01 Narzi, D.; Guidoni, L.
Improved Accuracy on Noisy Devices by Nonunitary Variational Quantum Eigensolver for Chemistry Applications
2021-01-01 Benfenati, F.; Mazzola, G.; Capecci, C.; Barkoutsos, P. K.; Ollitrault, P. J.; Tavernelli, I.; Guidoni, L.
Early-stage formation of (hydr)oxo bridges in transition-metal catalysts for photosynthetic processes
2021-01-01 Nakamura, Shin; Capone, Matteo; Mattioli, Giuseppe; Guidoni, Leonardo
A molecular dynamics-guided mutagenesis identifies two aspartic acid residues involved in the pH-dependent activity of OG-OXIDASE 1
2021-01-01 Scortica, A.; Capone, M.; Narzi, D.; Frezzini, M.; Scafati, V.; Giovannoni, M.; Angelucci, F.; Guidoni, L.; Mattei, B.; Benedetti, M.
Mechanism of Oxygen Evolution and Mn4CaO5 Cluster Restoration in the Natural Water-Oxidizing Catalyst
2021-01-01 Capone, M.; Narzi, D.; Guidoni, L.
Molecular Modelling and Simulations of Light-Harvesting Decanuclear Ru-Based Dendrimers for Artificial Photosynthesis
2021-01-01 Rogati, G. M. A.; Capecci, C.; Fazio, E.; Serroni, S.; Puntoriero, F.; Campagna, S.; Guidoni, L.
IRMPD spectroscopy and quantum chemistry calculations on mono- and bi-metallic complexes of acetylacetonate ligands with aluminum, iron, and ruthenium ions
2020-01-01 Nieuwjaer, N.; Beydoun, A.; Lecomte, F.; Manil, B.; Cappelluti, F.; Guidoni, L.; Scuderi, D.; Desfrancois, C.
Molecular dynamics of an asymmetric form of GabR, a bacterial transcriptional regulator
2020-01-01 Frezzini, M.; Narzi, D.; Sciolari, A. M.; Guidoni, L.; Pascarella, S.
Pivotal role of the redox-active tyrosine in driving the water splitting catalyzed by photosystem II
2020-01-01 Nakamura, Shin; Capone, Matteo; Narzi, Daniele; Guidoni, Leonardo
Spin-symmetrised structures and vibrational frequencies of iron-sulfur clusters
2020-01-01 Cappelluti, F.; Bencivenni, L.; Guidoni, L.
Structural and dynamical characterization of the S4 state of the Kok-Joliot's cycle by means of QM/MM Molecular Dynamics Simulations
2020-01-01 Capone, Matteo; Guidoni, Leonardo; Narzi, Daniele
Extended wavefunctions for the Variational Quantum Eigensolver
2019-01-01 Benfenati, F.; Guidoni, L.; Mazzola, G.; Barkoutsos, P.; Ollitrault, P.; Tavernelli, I.
On the comparison between differential vibrational spectroscopy spectra and theoretical data in the carboxyl region of photosystem II
2019-01-01 Capone, Matteo; Narzi, Daniele; Tychengulova, Aliya; Guidoni, Leonardo
Molecular Vibrations of an Oxygen-Evolving Complex and Its Synthetic Mimic
2019-01-01 Tychengulova, A.; Capone, M.; Pitari, F.; Guidoni, L.