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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
2352013
Potassium and Sodium Binding to the Outer Mouth of the K+ Channel
L Guidoni, V Torre, P Carloni
Biochemistry 38 (27), 8599-8604, 1999
1821999
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 theá…
D Bovi, D Narzi, L Guidoni
Angewandte Chemie 125 (45), 11960-11965, 2013
1602013
Early steps of the intramolecular signal transduction in rhodopsin explored by molecular dynamics simulations
UF R÷hrig, L Guidoni, U Rothlisberger
Biochemistry 41 (35), 10799-10809, 2002
1422002
Water and potassium dynamics inside the KcsA K+ channel
L Guidoni, V Torre, P Carloni
FEBS letters 477 (1-2), 37-42, 2000
1402000
A molecular spring for vision
UF R÷hrig, L Guidoni, A Laio, I Frank, U Rothlisberger
Journal of the American Chemical Society 126 (47), 15328-15329, 2004
1212004
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
1152014
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
1022012
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
972006
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
902002
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
842010
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
822010
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
812016
Solvent and protein effects on the structure and dynamics of the rhodopsin chromophore
UF R÷hrig, L Guidoni, U Rothlisberger
ChemPhysChem 6 (9), 1836-1847, 2005
802005
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
802002
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), 144111, 2015
752015
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
662015
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
632019
Static and dynamical correlation in diradical molecules by quantum Monte Carlo using the Jastrow antisymmetrized geminal power ansatz
A Zen, E Coccia, Y Luo, S Sorella, L Guidoni
Journal of Chemical Theory and Computation 10 (3), 1048-1061, 2014
562014
Structural optimization by quantum Monte Carlo: Investigating the low-lying excited states of ethylene
M Barborini, S Sorella, L Guidoni
Journal of chemical theory and computation 8 (4), 1260-1269, 2012
562012
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Articles 1–20