| Conical intersection dynamics of the primary photoisomerization event in vision D Polli, P Altoè, O Weingart, KM Spillane, C Manzoni, D Brida, ... Nature 467 (7314), 440-443, 2010 | 1074 | 2010 |
| 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 | 334 | 2018 |
| 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 | 164 | 2005 |
| 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 | 139 | 2009 |
| Aborted double bicycle-pedal isomerization with hydrogen bond breaking is the primary event of bacteriorhodopsin proton pumping P Altoè, A Cembran, M Olivucci, M Garavelli Proceedings of the National Academy of Sciences 107 (47), 20172-20177, 2010 | 111 | 2010 |
| A tunable QM/MM approach to chemical reactivity, structure and physico-chemical properties prediction P Altoè, M Stenta, A Bottoni, M Garavelli Theoretical Chemistry Accounts 118, 219-240, 2007 | 107 | 2007 |
| 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 Altoè, M Merchán, F Bernardi, ... The Journal of Physical Chemistry A 109 (29), 6597-6605, 2005 | 103 | 2005 |
| Adenine deactivation in DNA resolved at the CASPT2//CASSCF/AMBER level I Conti, P Altoè, M Stenta, M Garavelli, G Orlandi Physical Chemistry Chemical Physics 12 (19), 5016-5023, 2010 | 91 | 2010 |
| Probing and modeling the absorption of retinal protein chromophores in vacuo J Rajput, DB Rahbek, LH Andersen, A Hirshfeld, M Sheves, P Altoè, ... Angewandte Chemie 10 (122), 1834-1837, 2010 | 82 | 2010 |
| Product formation in rhodopsin by fast hydrogen motions O Weingart, P Altoè, M Stenta, A Bottoni, G Orlandi, M Garavelli Physical Chemistry Chemical Physics 13 (9), 3645-3648, 2011 | 81 | 2011 |
| COBRAMM 2.0—A software interface for tailoring molecular electronic structure calculations and running nanoscale (QM/MM) simulations O Weingart, A Nenov, P Altoè, I Rivalta, J Segarra-Martí, I Dokukina, ... Journal of Molecular Modeling 24, 1-30, 2018 | 77 | 2018 |
| 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 | 40 | 2009 |
| 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 | 32 | 2009 |
| 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 | 31 | 2018 |
| Light driven molecular switches: exploring and tuning their photophysical and photochemical properties P Altoè, F Bernardi, I Conti, M Garavelli, F Negri, G Orlandi Theoretical Chemistry Accounts 117 (5), 1041-1059, 2007 | 30 | 2007 |
| 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 | 17 | 2012 |
| Catalytic mechanism of diaminopimelate epimerase: a QM/MM investigation M Stenta, M Calvaresi, P Altoè, D Spinelli, M Garavelli, R Galeazzi, ... Journal of chemical theory and computation 5 (7), 1915-1930, 2009 | 16 | 2009 |
| , 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 | 15 | 2009 |
| The catalytic activity of proline racemase: a quantum mechanical/molecular mechanical study M Stenta, M Calvaresi, P Altoè, D Spinelli, M Garavelli, A Bottoni The Journal of Physical Chemistry B 112 (4), 1057-1059, 2008 | 15 | 2008 |
| 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 | 13 | 2010 |
Marco GaravelliDipartimento di Chimica Industriale "T. Montanari", BolognaVerified email at unibo.it