Author

Leonardo Guidoni

Observed names: GUIDONI, Leonardo, Guidoni, L., Guidoni, Leonardo, L. Guidoni

Observed institutions: University College Dublin, University of Rome Tor Vergata, University of Bern, The Abdus Salam International Centre for Theoretical Physics (ICTP), Centrum Wiskunde & Informatica, Scuola Internazionale Superiore di Studi Avanzati, Università degli Studi della Tuscia, University of L'Aquila, AREA Science Park, ETH Zurich, Istituto Nazionale per la Fisica della Materia, Laboratory of Inorganic Chemistry, École Polytechnique Fédérale de Lausanne, Ludwig-Maximilians-Universität München, Sapienza University of Rome, University of Amsterdam, International Centre for Genetic Engineering and Biotechnology

ORCID: 0000-0002-2497-9482

Observed ORCID: 0000-0002-2497-9482

OpenAlex ID: A5081679633

Reaction Pathways for Oxygen Evolution Promoted by Cobalt Catalyst

2013 · Giuseppe Mattioli, Paolo Giannozzi, et al. · Journal of the American Chemical Society · 259

The S2 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 S3 State

2013 · Daniele Bovi, Daniele Narzi, et al. · Angewandte Chemie International Edition · 165

Potassium and Sodium Binding to the Outer Mouth of the K+ Channel

1999 · Leonardo Guidoni, Vincent Torre, et al. · Biochemistry · 139

Pathway for Mn-cluster oxidation by tyrosine-Z in the S 2 state of photosystem II

2014 · Daniele Narzi, Daniele Bovi, et al. · Proceedings of the National Academy of Sciences · 130

H/D Isotope Effects Reveal Factors Controlling Catalytic Activity in Co-Based Oxides for Water Oxidation

2019 · Chiara Pasquini, Ivelina Zaharieva, et al. · Journal of the American Chemical Society · 128

The electron–proton bottleneck of photosynthetic oxygen evolution

2023 · Paul Greife, Matthias Schönborn, et al. · Nature · 122

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Water and potassium dynamics inside the KcsA K+ channel

2000 · Leonardo Guidoni, Vincent Torre, et al. · FEBS Letters · 117

Bathochromic Shift in Green Fluorescent Protein: A Puzzle for QM/MM Approaches

2011 · Claudia Filippi, Francesco Buda, et al. · Journal of Chemical Theory and Computation · 106

Hydration Properties of the Bromide Aqua Ion: the Interplay of First Principle and Classical Molecular Dynamics, and X-ray Absorption Spectroscopy

2010 · Paola D’Angelo, Valentina Migliorati, et al. · Inorganic Chemistry · 99

Early Steps of the Intramolecular Signal Transduction in Rhodopsin Explored by Molecular Dynamics Simulations

2002 · Ute F. Röhrig, Leonardo Guidoni, et al. · Biochemistry · 97

A Molecular Spring for Vision

2004 · Ute F. Röhrig, Leonardo Guidoni, et al. · Journal of the American Chemical Society · 96

Mechanism of Water Delivery to the Active Site of Photosystem II along the S2 to S3 Transition

2016 · Matteo Capone, Daniele Narzi, et al. · The Journal of Physical Chemistry Letters · 89

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Polarization effects and charge transfer in the KcsA potassium channel

2006 · Denis Bucher, Simone Raugei, et al. · Biophysical Chemistry · 89

Ab initio molecular dynamics simulation of liquid water by quantum Monte Carlo

2015 · Andrea Zen, Ye Luo, et al. · The Journal of Chemical Physics · 79

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Potassium permeation through the KcsA channel: a density functional study

2002 · Leonardo Guidoni, Paolo Carloni · Biochimica et Biophysica Acta (BBA) - Biomembranes · 77

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Coordination Numbers of K+ and Na+ Ions Inside the Selectivity Filter of the KcsA Potassium Channel: Insights from First Principles Molecular Dynamics

2010 · Denis Bucher, Leonardo Guidoni, et al. · Biophysical Journal · 74

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Reorganization of Substrate Waters between the Closed and Open Cubane Conformers during the S2 to S3 Transition in the Oxygen Evolving Complex

2015 · Matteo Capone, Daniele Bovi, et al. · Biochemistry · 70

Hybrid QM/MM Car-Parrinello Simulations of Catalytic and Enzymatic Reactions

2002 · Maria Carola Colombo, Martin Zumstein, et al. · CHIMIA International Journal for Chemistry · 68

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Solvent and Protein Effects on the Structure and Dynamics of the Rhodopsin Chromophore

2005 · Ute F. Röhrig, Leonardo Guidoni, et al. · ChemPhysChem · 65

Vibrational Signature of Water Molecules in Asymmetric Hydrogen Bonding Environments

2013 · Chao Zhang, Rustam Z. Khaliullin, et al. · The Journal of Physical Chemistry Letters · 63

Multiple Reaction Pathways for Oxygen Evolution as a Key Factor for the Catalytic Activity of Nickel–Iron (Oxy)Hydroxides

2025 · Giuseppe Mattioli, Leonardo Guidoni · Journal of the American Chemical Society · 62

Static and Dynamical Correlation in Diradical Molecules by Quantum Monte Carlo Using the Jastrow Antisymmetrized Geminal Power Ansatz

2014 · Andrea Zen, Emanuele Coccia, et al. · Journal of Chemical Theory and Computation · 61

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Ab Initio Geometry and Bright Excitation of Carotenoids: Quantum Monte Carlo and Many Body Green’s Function Theory Calculations on Peridinin

2014 · Emanuele Coccia, Daniele Varsano, et al. · Journal of Chemical Theory and Computation · 54

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Dissecting the Hydrogen Bond: A Quantum Monte Carlo Approach

2008 · Fabio Sterpone, Leonardo Spanu, et al. · Journal of Chemical Theory and Computation · 54

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Environmental effects on vibrational properties of carotenoids: experiments and calculations on peridinin

2011 · Daniele Bovi, Alberto Mezzetti, et al. · Physical Chemistry Chemical Physics · 52

Works count: 181

Citation count: 4,262

H-index: 37

I10-index: 89