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Piero Altoe
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Conical intersection dynamics of the primary photoisomerization event in vision
D Polli, P Altoč, O Weingart, KM Spillane, C Manzoni, D Brida, ...
Nature 467 (7314), 440-443, 2010
10062010
Machine learning in high energy physics community white paper
K Albertsson, P Altoe, D Anderson, M Andrews, JP Araque Espinosa, ...
Journal of Physics: Conference Series 1085, 022008, 2018
2742018
Solvent effects on the vibrational activity and photodynamics of the green fluorescent protein chromophore: A quantum-chemical study
P Altoe', F Bernardi, M Garavelli, G Orlandi, F Negri
Journal of the American Chemical Society 127 (11), 3952-3963, 2005
1562005
Electrostatic control of the photoisomerization efficiency and optical properties in visual pigments: on the role of counterion quenching
G Tomasello, G Olaso-Gonzalez, P Altoe, M Stenta, L Serrano-Andres, ...
Journal of the American Chemical Society 131 (14), 5172-5186, 2009
1322009
A tunable QM/MM approach to chemical reactivity, structure and physico-chemical properties prediction
P Altoč, M Stenta, A Bottoni, M Garavelli
Theoretical Chemistry Accounts 118, 219-240, 2007
1052007
Aborted double bicycle-pedal isomerization with hydrogen bond breaking is the primary event of bacteriorhodopsin proton pumping
P Altoč, A Cembran, M Olivucci, M Garavelli
Proceedings of the National Academy of Sciences 107 (47), 20172-20177, 2010
1042010
Structure, spectroscopy, and spectral tuning of the gas-phase retinal chromophore: The β-ionone “handle” and alkyl group effect
A Cembran, R González-Luque, P Altoč, M Merchán, F Bernardi, ...
The Journal of Physical Chemistry A 109 (29), 6597-6605, 2005
1012005
Adenine deactivation in DNA resolved at the CASPT2//CASSCF/AMBER level
I Conti, P Altoč, M Stenta, M Garavelli, G Orlandi
Physical Chemistry Chemical Physics 12 (19), 5016-5023, 2010
902010
Product formation in rhodopsin by fast hydrogen motions
O Weingart, P Altoč, M Stenta, A Bottoni, G Orlandi, M Garavelli
Physical Chemistry Chemical Physics 13 (9), 3645-3648, 2011
822011
Probing and modeling the absorption of retinal protein chromophores in vacuo
J Rajput, DB Rahbek, LH Andersen, A Hirshfeld, M Sheves, P Altoč, ...
Angewandte Chemie 10 (122), 1834-1837, 2010
792010
COBRAMM 2.0—A software interface for tailoring molecular electronic structure calculations and running nanoscale (QM/MM) simulations
O Weingart, A Nenov, P Altoč, I Rivalta, J Segarra-Martí, I Dokukina, ...
Journal of Molecular Modeling 24, 1-30, 2018
662018
Deciphering intrinsic deactivation/isomerization routes in a phytochrome chromophore model
P Altoe, T Climent, GC De Fusco, M Stenta, A Bottoni, L Serrano-Andrés, ...
The Journal of Physical Chemistry B 113 (45), 15067-15073, 2009
372009
Multistate photo-induced relaxation and photoisomerization ability of fumaramide threads: A computational and experimental study
P Altoe, N Haraszkiewicz, FG Gatti, PG Wiering, C Frochot, AM Brouwer, ...
Journal of the American Chemical Society 131 (1), 104-117, 2009
322009
Light driven molecular switches: exploring and tuning their photophysical and photochemical properties
P Altoč, F Bernardi, I Conti, M Garavelli, F Negri, G Orlandi
Theoretical Chemistry Accounts 117 (5), 1041-1059, 2007
292007
The DAVIDE big-data-powered fine-grain power and performance monitoring support
A Bartolini, A Borghesi, A Libri, F Beneventi, D Gregori, S Tinti, ...
Proceedings of the 15th ACM International Conference on Computing Frontiers …, 2018
272018
Computational evidence for the catalytic mechanism of human glutathione S-transferase A3-3: a QM/MM investigation
M Calvaresi, M Stenta, M Garavelli, P Altoe, A Bottoni
ACS Catalysis 2 (2), 280-286, 2012
172012
Catalytic mechanism of diaminopimelate epimerase: a QM/MM investigation
M Stenta, M Calvaresi, P Altoč, D Spinelli, M Garavelli, R Galeazzi, ...
Journal of chemical theory and computation 5 (7), 1915-1930, 2009
152009
, M. Stenta, L. Serrano-Andres, M. Merchan, G. Orlandi, A. Bottoni and M. Garavelli
G Tomasello, G Olaso-Gonzalez, P Altoe
J. Am. Chem. Soc 131, 5172-5186, 2009
152009
The catalytic activity of proline racemase: a quantum mechanical/molecular mechanical study
M Stenta, M Calvaresi, P Altoč, D Spinelli, M Garavelli, A Bottoni
The Journal of Physical Chemistry B 112 (4), 1057-1059, 2008
152008
Spectroscopic Properties of Formaldehyde in Aqueous Solution: Insights from Car− Parrinello and TDDFT/CASPT2 Calculations
P Lupieri, E Ippoliti, P Altoe, M Garavelli, M Mwalaba, P Carloni
Journal of chemical theory and computation 6 (11), 3403-3409, 2010
112010
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