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Leonardo Guidoni
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Reaction pathways for oxygen evolution promoted by cobalt catalyst
G Mattioli, P Giannozzi, A Amore Bonapasta, L Guidoni
Journal of the American Chemical Society 135 (41), 15353-15363, 2013
2692013
Potassium and Sodium Binding to the Outer Mouth of the K+ Channel
L Guidoni, V Torre, P Carloni
Biochemistry 38 (27), 8599-8604, 1999
1901999
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 …
D Bovi, D Narzi, L Guidoni
Angewandte Chemie International Edition 52 (45), 11744-11749, 2013
1852013
Early steps of the intramolecular signal transduction in rhodopsin explored by molecular dynamics simulations
UF Röhrig, L Guidoni, U Rothlisberger
Biochemistry 41 (35), 10799-10809, 2002
1482002
Water and potassium dynamics inside the KcsA K+ channel
L Guidoni, V Torre, P Carloni
FEBS letters 477 (1-2), 37-42, 2000
1452000
Pathway for Mn-cluster oxidation by tyrosine-Z in the S2 state of photosystem II
D Narzi, D Bovi, L Guidoni
Proceedings of the National Academy of Sciences 111 (24), 8723-8728, 2014
1372014
A molecular spring for vision
UF Röhrig, L Guidoni, A Laio, I Frank, U Rothlisberger
Journal of the American Chemical Society 126 (47), 15328-15329, 2004
1282004
Bathochromic shift in green fluorescent protein: a puzzle for QM/MM approaches
C Filippi, F Buda, L Guidoni, A Sinicropi
Journal of chemical theory and computation 8 (1), 112-124, 2012
1152012
Polarization effects and charge transfer in the KcsA potassium channel
D Bucher, S Raugei, L Guidoni, M Dal Peraro, U Rothlisberger, P Carloni, ...
Biophysical chemistry 124 (3), 292-301, 2006
1032006
Hydration properties of the bromide aqua ion: the interplay of first principle and classical molecular dynamics, and X-ray absorption spectroscopy
P D’Angelo, V Migliorati, L Guidoni
Inorganic chemistry 49 (9), 4224-4231, 2010
1002010
Mechanism of Water Delivery to the Active Site of Photosystem II along the S2 to S3 Transition
M Capone, D Narzi, D Bovi, L Guidoni
The journal of physical chemistry letters 7 (3), 592-596, 2016
972016
Potassium permeation through the KcsA channel: a density functional study
L Guidoni, P Carloni
Biochimica et Biophysica Acta (BBA)-Biomembranes 1563 (1-2), 1-6, 2002
962002
H/D isotope effects reveal factors controlling catalytic activity in Co-based oxides for water oxidation
C Pasquini, I Zaharieva, D González-Flores, P Chernev, MR Mohammadi, ...
Journal of the American Chemical Society 141 (7), 2938-2948, 2019
932019
Coordination numbers of K+ and Na+ ions inside the selectivity filter of the KcsA potassium channel: Insights from first principles molecular dynamics
D Bucher, L Guidoni, P Carloni, U Rothlisberger
Biophysical journal 98 (10), L47-L49, 2010
922010
Reorganization of Substrate Waters between the Closed and Open Cubane Conformers during the S2 to S3 Transition in the Oxygen Evolving Complex
M Capone, D Bovi, D Narzi, L Guidoni
Biochemistry 54 (42), 6439-6442, 2015
832015
Hybrid QM/MM Car-Parrinello simulations of catalytic and enzymatic reactions
MC Colombo, M Zumstein, J VandeVondele, M Sulpizi, K Spiegel, ...
Chimia 56 (1-2), 13-13, 2002
832002
Ab initio molecular dynamics simulation of liquid water by quantum Monte Carlo
A Zen, Y Luo, G Mazzola, L Guidoni, S Sorella
The Journal of chemical physics 142 (14), 2015
802015
Solvent and protein effects on the structure and dynamics of the rhodopsin chromophore
UF Röhrig, L Guidoni, U Rothlisberger
ChemPhysChem 6 (9), 1836-1847, 2005
802005
The electron–proton bottleneck of photosynthetic oxygen evolution
P Greife, M Schönborn, M Capone, R Assunção, D Narzi, L Guidoni, ...
Nature 617 (7961), 623-628, 2023
662023
Vibrational signature of water molecules in asymmetric hydrogen bonding environments
C Zhang, RZ Khaliullin, D Bovi, L Guidoni, TD Kühne
The Journal of Physical Chemistry Letters 4 (19), 3245-3250, 2013
662013
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