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]
L. Brunetti; R. Galeazzi; M. Orena; A. Bottoni, Catalytic mechanism of L,L-diaminopimelic acid with diaminopimelate
epimerase by molecular docking simulations, «JOURNAL OF MOLECULAR GRAPHICS & MODELLING», 2008, 26, pp. 1082 - 1090 [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]
A. Czajlik; T. Beke; A. Bottoni; A. Perczel, Structure and Stability of Short β-Peptide Nanotubes: A Non-Natural Representative of Collagen?, «JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL», 2008, 112, pp. 7956 - 7966 [Scientific article]
F. Benfatti; A. Bottoni; L. Gentilucci; M. Monari; E. Mosconi; M. Stenta; A. Tolomelli, Synthesis of Ethyl 5-Hydroxyisoxazolidine-4-carboxylates via Michael Addition/Intramolecular Hemiketalisation, «EUROPEAN JOURNAL OF ORGANIC CHEMISTRY», 2008, 36, pp. 6119 - 6127 [Scientific article]
M. Stenta; M. Calvaresi; P. Altoè; D. Spinelli; M. Garavelli; A. Bottoni, The Catalytic Activity of Proline Racemase: a QM/MM Study, «JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL», 2008, 112, pp. 1057 - 1059 [Scientific article]
F. Benfatti; A. Bottoni; G. Cardillo; S. Fabbroni; L. Gentilucci; M. Stenta; A. Tolomelli, The cycloaddition reaction between alpha-bromo vinylketenes and imines: a combined experimental and theoretical study., «ADVANCED SYNTHESIS & CATALYSIS», 2008, 350, pp. 2261 - 2273 [Scientific article]
A. Bottoni; M. Lombardo; G. P. Miscione; J. B. Pujol Alguè; C. Trombini, 3-Bromozinc Propenyl Esters: an Experimental and Theoretical Study of the Unique Stereocrossover Observed in their Addition to Aromatic and Aliphatic Aldehydes, «JOURNAL OF ORGANIC CHEMISTRY», 2008, 73, pp. 418 - 426 [Scientific article]
P. Altoè; M. Stenta; A. Bottoni; M. Garavelli, A tunable QM/MM approach to chemical reactivity, structure and physico-chemical properties prediction, «THEORETICAL CHEMISTRY ACCOUNTS», 2007, 118, pp. 219 - 240 [Scientific article]
Altoè, P.; Stenta, Marco; Bottoni, Andrea; Garavelli, Marco, COBRAMM: A Tunable QM/MM Approach to Complex Molecular Architectures. Modelling the Excited and Ground State Properties of Sized Molecular Systems, in: COMPUTATIONAL METHODS IN SCIENCE AND ENGINEERING: Theory and Computation: Old Problems and New Challenges. Lectures Presented at the International Conference on Computational Methods in Science and Engineering 2007 (ICCMSE 2007): VOLUME 1, New York, American Institute Of Physics, 2007, 963, pp. 491 - 505 (atti di: International Conference on Computational Methods in Science and Engineering 2007 (ICCMSE 2007), Corfu (Greece), 25–30 September 2007) [Contribution to conference proceedings]
Altoè, P.; Stenta, Marco; Bottoni, Andrea; Garavelli, Marco, COBRAMM (part 1): a Tunable QM/MM Approach to Chemical Reactivity, Structure and Physico-Chemical Properties Prediction, in: COMPUTATIONAL METHODS IN SCIENCE AND ENGINEERING: Theory and Computation: Old Problems and New Challenges. Lectures Presented at the International Conference on Computational Methods in Science and Engineering 2007 (ICCMSE 2007): VOLUME 1, New York, American Institute Of Physics, 2007, 963, pp. 685 - 688 (atti di: International Conference on Computational Methods in Science and Engineering 2007 (ICCMSE 2007), Corfu (Greece), 25–30 September 2007) [Contribution to conference proceedings]
Stenta, Marco; Altoè, P.; Bottoni, Andrea; Garavelli, Marco, COBRAMM (part 2): an Overview on Some Computational Details; Geometry Optimization, Frequency Calculation, Analysis of the Results, in: COMPUTATIONAL METHODS IN SCIENCE AND ENGINEERING: Theory and Computation: Old Problems and New Challenges. Lectures Presented at the International Conference on Computational Methods in Science and Engineering 2007 (ICCMSE 2007): VOLUME 1, New York, American Institute Of Physics, 2007, 963, pp. 714 - 716 (atti di: International Conference on Computational Methods in Science and Engineering 2007 (ICCMSE 2007), Corfu (Greece), 25–30 SEPTEMBER 2007) [Contribution to conference proceedings]
Matteo Calvaresi; Andrea Bottoni; Marco Garavelli, Computational Clues for a New Mechanism in the Glycosylase Activity of the Human DNA Repair Protein hOGG1. A Generalized Paradigm for Purine-Repairing Systems?, «JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL», 2007, 111, pp. 6557 - 6570 [Scientific article]
Calvaresi, Matteo; Stenta, Marco; Altoè, P.; Bottoni, Andrea; Garavelli, Marco; Spinelli, Domenico, Computational QM/MM Study of the Reaction Mechanism of Human Glutathione S-Transferase A3-3, in: COMPUTATIONAL METHODS IN SCIENCE AND ENGINEERING: Theory and Computation: Old Problems and New Challenges. Lectures Presented at the International Conference on Computational Methods in Science and Engineering 2007 (ICCMSE 2007): VOLUME 1, New York, American Institute Of Physics, 2007, 963, pp. 696 - 698 (atti di: International Conference on Computational Methods in Science and Engineering 2007 (ICCMSE 2007), Corfu (Greece), 25–30 SEPTEMBER 2007) [Contribution to conference proceedings]
G. de Petris; A. Troiani; G. Angelini; O. Ursini; A. Bottoni; M. Calvaresi, Isotope Exchange in Disulfur Monoxide-Water Charged Complexes: a Mass Spectrometric and Computational Study, «JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY», 2007, 18, pp. 1664 - 1671 [Scientific article]
