Stenta M.; Altoe P.; Dal Peraro M.; Garavelli M.; Bottoni A., Common catalytic features among cofactor independent racemases and epimerases: A computational perspective, in: ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, ACS, «ABSTRACTS OF PAPERS - AMERICAN CHEMICAL SOCIETY», 2010, 240, pp. 88-COMP - 88-COMP (atti di: 240th ACS National Meeting, Boston - MAUSA, 22 - 26 August 2010) [Abstract]
D. Polli; Piero Altoe`; O. Weingart; K. M. Spillane; C. Manzoni; D. Brida; G. Tomasello; G. Orlandi; P. Kukura; R. A. Mathies; M. Garavelli; G. Cerullo, Conical intersection dynamics of the primary photoisomerization event in vision, «NATURE», 2010, 467, pp. 440 - 443 [Scientific article]
Rajput J.; D. B. Rahbek; L. H. Andersen; A. Hirshfeld; M. Sheves; P. Altoè; G. Orlandi; Garavelli M.;, Probing and Modeling the Absorption of Retinal Protein Chromophores in Vacuo, «ANGEWANDTE CHEMIE. INTERNATIONAL EDITION», 2010, 49, pp. 1790 - 1793 [Scientific article]
Stenta M.; Dal Peraro M.; Garavelli M.; Altoe P.; Di Domenico M.; Bottoni A., Shedding a new light on photolyases: Accurate molecular modeling as a tool for undestanding DNA repairing enzymes, in: ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, ACS, «ABSTRACTS OF PAPERS - AMERICAN CHEMICAL SOCIETY», 2010, 240, pp. 20-PHYS - 20-PHYS (atti di: 240th ACS National Meeting, Boston - MAUSA, 22 - 26 August 2010) [Abstract]
G. Tomasello; M. J. Bearpark; M. A. Robb; G. Orlandi; M. Garavelli, Significance of a Zwitterionic State for Fulgide Photochromism: Implications for the Design of Mimics, «ANGEWANDTE CHEMIE. INTERNATIONAL EDITION», 2010, 49, pp. 2913 - 2916 [Scientific article]
P. Lupieri; E. Ippoliti; P. Altoe’; M. Garavelli; M. Mwalaba; P. Carloni, Spectroscopic Properties of Formaldehyde in Aqueous Solution: Insights from Car−Parrinello and TDDFT/CASPT2 Calculations, «JOURNAL OF CHEMICAL THEORY AND COMPUTATION», 2010, 6, pp. 3403 - 3409 [Scientific article]
M. Stenta; M. Calvaresi; P. Altoè; D. Spinelli; M. Garavelli; R. Galeazzi; A. Bottoni, Catalytic Mechanism of Diaminopimelate Epimerase: A QM/MM Investigation, «JOURNAL OF CHEMICAL THEORY AND COMPUTATION», 2009, 5, pp. 915 - 1930 [Scientific article]
P. Altoé; T. Climent; G. C. De Fusco; M. Stenta; A. Bottoni; L. Serrano-Andrés; M. Merchàn; G. Orlandi; M. Garavelli, Deciphering Intrinsic Deactivation/Isomerization Routes in a Phytochrome Chromophore Model, «JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL», 2009, 113, pp. 15067 - 15073 [Scientific article]
I. Conti; M. Garavelli; G. Orlandi, Deciphering Low Energy Deactivation Channels in Adenine, «JOURNAL OF THE AMERICAN CHEMICAL SOCIETY», 2009, 131, pp. 16108 - 16118 [Scientific article]
G. Tomasello; G. Olaso-Gonzalez; P. Altoè; M. Stenta; L. Serrano-Andrès; M. Merchan; G. Orlandi; A. Bottoni; M. Garavelli, Electrostatic control of the photoisomerization efficiency and optical properties in visual pigments: on the role of counterion quenching., «JOURNAL OF THE AMERICAN CHEMICAL SOCIETY», 2009, 131, pp. 5172- - 5186 [Scientific article]
P. Alto; N. Haraszkiewicz; F. G. Gatti; P. G. Wiering; C. Frochot; A. M. Brouwer; G. Balkowski; D. Shaw; S. Woutersen; W. J. Buma; F. Zerbetto; G. Orlandi; D. A. Leigh; M. Garavelli, Multistate Photo-Induced Relaxation and Photoisomerization Ability of Fumaramide Threads: A Computational and Experimental Study, «JOURNAL OF THE AMERICAN CHEMICAL SOCIETY», 2009, 131, pp. 104 - 117 [Scientific article]
M. Robb; M. Garavelli; S. Vanni, A New Formulation of the Phase Change Approach in the Theory of Conical Intersections, «CHEMICAL PHYSICS», 2008, 347, pp. 46 - 56 [Scientific article]
M. Calvaresi; S. Rinaldi; A. Arcelli; M. Garavelli, Computational DFT Investigation of Vicinal Amide Group Anchimeric Assistance in Ether Cleavage, «JOURNAL OF ORGANIC CHEMISTRY», 2008, 73, pp. 2066 - 2073 [Scientific article]
M. Calvaresi; M. Garavelli; A. Bottoni, Computational Evidence for the Catalytic Mechanism of Glutaminyl Cyclase. A DFT Investigation, «PROTEINS», 2008, 73, pp. 527 - 538 [Scientific article]
Tomasello G.; Ogliaro F.;Bearpark M. J.;Robb M. A.;Garavelli M., Modeling the Photophysics and Photochromic Potential of 1,2-Dihydronaphthalene (DHN): a Combined CASPT2//CASSCF-Topological and MMVB-Dynamical Investigation, «JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY», 2008, 112, pp. 10096 - 10107 [Scientific article]
