A. Bottoni; M. Calvaresi; V. Bertolasi; F. Capitelli; M. A. M. Capozzi; C. Cardellicchio; F. Naso, A Combined Theoretical and Experimental Investigation on the Enantioselective Oxidation of Aryl Benzyl Sulfides in the Presence of a Chiral Titanium Catalyst, «CHEMISTRY-A EUROPEAN JOURNAL», 2009, 15, pp. 13417 - 13426 [articolo]
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 [articolo]
M. Calvaresi; D. Balducci; A. Bottoni; G. Porzi, Conformational Analysis of Hexapseudopeptides Mimicking Reverse Turn Structures Induced by a Modified (S)-Proline. A Combined Spectroscopic and Molecular Dynamics Investigation. Part 4, «MOLECULAR PHYSICS», 2009, 107, pp. 653 - 663 [articolo]
Calvaresi M.; Dallavalle M.; Zerbetto F., Wrapping Nanotubes with Micelles, Hemimicelles, and Cylindrical Micelles, «SMALL», 2009, 5, pp. 2191 - 2198 [articolo]
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 [articolo]
M. Calvaresi; M. Garavelli; A. Bottoni, Computational Evidence for the Catalytic Mechanism of Glutaminyl Cyclase. A DFT Investigation, «PROTEINS», 2008, 73, pp. 527 - 538 [articolo]
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 [articolo]
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 [articolo]
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) [Contributo in Atti di convegno]
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 [articolo]
D. Balducci; A. Bottoni; M. Calvaresi; G. Porzi; S. Sandri, Stereoselective synthesis and conformational analysis of pseudo-heptapeptides. Part 5, «TETRAHEDRON-ASYMMETRY», 2007, 18, pp. 1448 - 1456 [articolo]
G. M. Almiento; D. Balducci; A. Bottoni; M. Calvaresi; G. Porzi, Stereoselective synthesis and conformational analysis of unnatural tetrapeptides. Part 2, «TETRAHEDRON-ASYMMETRY», 2007, 18, pp. 2695 - 2711 [articolo]
Stenta, Marco; Calvaresi, Matteo; Altoè, P.; Spinelli, Domenico; Garavelli, Marco; Bottoni, Andrea, The Catalytic Activity of Diaminopimelate Epimerase: a QM/MM Study, 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. 717 - 719 (atti di: International Conference on Computational Methods in Science and Engineering 2007 (ICCMSE 2007), Corfu (Greece), 25–30 SEPTEMBER 2007) [Contributo in Atti di convegno]
Stenta, Marco; Calvaresi, Matteo; Altoè, P.; Spinelli, Domenico; Garavelli, Marco; Bottoni, Andrea, The Catalytic Activity of Proline Racemase: a QM/MM Study, 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. 720 - 723 (atti di: International Conference on Computational Methods in Science and Engineering 2007 (ICCMSE 2007), Corfu (Greece), 25–30 SEPTEMBER 2007) [Contributo in Atti di convegno]
D. Balducci; A. Bottoni; M. Calvaresi; G. Porzi; S. Sandri, Synthesis and conformational preferences of unnatural tetrapeptides containing L-valine units, «TETRAHEDRON-ASYMMETRY», 2006, 17, pp. 3273 - 3281 [articolo]
