引用次数
引用: 4,284
H-指数: 38
I10-指数 : 85
出版物: 165
Geometries of low spin states of multi-centre transition metal complexes through extended broken symmetry variational Monte Carlo.
Matteo Barborini , Leonardo Guidoni
Journal of Chemical Physics 145 ( 12) 124107
7
2016
Vibrational fingerprints of the Mn 4 CaO 5 cluster in Photosystem II by mixed quantum-classical molecular dynamics
Daniele Bovi , Matteo Capone , Daniele Narzi , Leonardo Guidoni
Biochimica et Biophysica Acta (BBA) - Bioenergetics 1857 ( 10) 1669 -1677
9
2016
Theoretical S1 ← S0 Absorption Energies of the Anionic Forms of Oxyluciferin by Variational Monte Carlo and Many-Body Green’s Function Theory
Emanuele Coccia , Daniele Varsano , Leonardo Guidoni
Journal of Chemical Theory and Computation 13 ( 9) 4357 -4367
10
2017
Pivotal role of the redox-active tyrosine in driving the water splitting catalyzed by photosystem II
Shin Nakamura , Matteo Capone , Daniele Narzi , Leonardo Guidoni
Physical Chemistry Chemical Physics 22 ( 1) 273 -285
5
2020
Chemical and protein shifts in the spectrum of the photoactive yellow protein: a time-dependent density functional theory/molecular mechanics study
Eneritz Muguruza González , Leonardo Guidoni , Carla Molteni
Physical Chemistry Chemical Physics 11 ( 22) 4556 -4563
27
2009
Vibrational signatures of S-nitrosoglutathione as gaseous, protonated species.
Barbara Gregori , Leonardo Guidoni , Barbara Chiavarino , Debora Scuderi
Journal of Physical Chemistry B 118 ( 43) 12371 -12382
16
2014
Hybrid Car-Parrinello/molecular mechanics modelling of transition metal complexes: Structure, dynamics and reactivity
Leonardo Guidoni , Patrick Maurer , Stefano Piana , Ursula Rothlisberger
Quantitative Structure-activity Relationships 21 ( 2) 119 -127
11
2002
Potassium permeation through the KcsA channel: a density functional study.
Leonardo Guidoni , Paolo Carloni
Biochimica et Biophysica Acta 1563 ( 1) 1 -6
67
2002
Hybrid QM/MM Car-Parrinello simulations of catalytic and enzymatic reactions
Maria Carola Colombo , Leonardo Guidoni , Alessandro Laio , Alessandra Magistrato
Chimia 56 ( 1) 13 -19
59
2002
Quantum mechanical/molecular mechanical (QM/MM) car-parrinello simulations in excited states
Marc-Etienne Moret , Enrico Tapavicza , Leonardo Guidoni , Ute F. Röhrig
Chimia 59 ( 7) 493 -498
46
2005
Conformational transitions induced by γ-amino butyrate binding in GabR, a bacterial transcriptional regulator.
Mario Frezzini , Leonardo Guidoni , Stefano Pascarella
Scientific Reports 9 ( 1) 19319
3
2019
Protonation of the chromophore in the photoactive yellow protein.
Elske J. M. Leenders , Leonardo Guidoni , Ursula Röthlisberger , Jocelyne Vreede
Journal of Physical Chemistry B 111 ( 14) 3765 -3773
14
2007
The origin of the chemoselectivity in the Cp2TiCl2/MAO catalyst for the polymerization of 1,3-butadiene explored by Density Functional Theory
Maria Montagna , Giovanni Ricci , Giuseppe Leone , Francesco Masi
Materials today communications 1 ( 1) 42 -47
2014
Ab initio molecular dynamics simulation of liquid water by quantum Monte Carlo
Andrea Zen , Ye Luo , Guglielmo Mazzola , Leonardo Guidoni
Journal of Chemical Physics 142 ( 14) 144111
75
2015
Solvent and Protein Effects on the Structure and Dynamics of the Rhodopsin Chromophore
Ute F. Röhrig , Leonardo Guidoni , Ursula Rothlisberger
ChemPhysChem 6 ( 9) 1836 -1847
53
2005
Evolution from S3 to S4 States of the Oxygen‐Evolving Complex in Photosystem II Monitored by Quantum Mechanics/Molecular Mechanics (QM/MM) Dynamics
Daniele Narzi , Matteo Capone , Daniele Bovi , Leonardo Guidoni
Chemistry: A European Journal 24 ( 42) 10820 -10828
11
2018
Early-stage formation of (hydr)oxo bridges in transition-metal catalysts for photosynthetic processes
Shin Nakamura , Matteo Capone , Giuseppe Mattioli , Leonardo Guidoni
Catalysis Science & Technology 11 ( 5) 1801 -1813
2
2021
A molecular dynamics-guided mutagenesis identifies two aspartic acid residues involved in the pH-dependent activity of OG-OXIDASE 1
Anna Scortica , Matteo Capone , Daniele Narzi , Mario Frezzini
Plant Physiology and Biochemistry 169 171 -182
5
2021
A study of the pulse-based variational quantum eigensolver on cross-resonance based hardware
Daniel J Egger , Chiara Capecci , Bibek Pokharel , Panagiotis Kl Barkoutsos
arXiv preprint arXiv:2303.02410
2023
LCBC
Andrej Antalik , Bruno Araujo Cautiero Horta , Jeremy Samuel Arey , Negar Ashari Astani