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Leonardo Guidoni

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Leonardo Guidoni

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Pivotal role of the redox-active tyrosine in driving the water splitting catalyzed by photosystem II

On the comparison between differential vibrational spectroscopy spectra and theoretical data in the carboxyl region of photosystem II

Impact of molecular flexibility on the site energy shift of chlorophylls in Photosystem II

A Spotlight on the Compatibility between XFEL and Ab Initio Structures of the Oxygen Evolving Complex in Photosystem II

Vibrational fingerprints of the Mn4CaO5 cluster in Photosystem II by mixed quantum-classical molecular dynamics

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

Developing Improved Charge Sets for the Modeling of the KcsA K+ Channel Using QM/MM Electrostatic Potentials

Polarization effects and charge transfer in the KcsA potassium channel

Quantum mechanical/molecular mechanical (QM/MM) Car-Parrinello simulations in excited states

Solvent and protein effects on the structure and dynamics of the rhodopsin chromophore