M. Calvaresi; F. Zerbetto, The devil and holy water: Protein and carbon nanotube hybrids, «ACCOUNTS OF CHEMICAL RESEARCH», 2013, 46, pp. 2454 - 2463 [Scientific article]
M. A. M. Capozzi; F. Capitelli; A. Bottoni; M. Calvaresi; C. Cardellicchio, The Effect of the Fluorine Substitution on the Enantioselective Oxidation of Sulfides with Chiral Titanium Catalysts: A Combined Computational and Experimental Investigation, «CHEMCATCHEM», 2013, 5, pp. 210 - 219 [Scientific article]
M. Quintana; M. Grzelczak; K. Spyrou; M. Calvaresi; S. Bals ; B. Kooi; G. Van Tendeloo; P. Rudolf; F. Zerbetto; M. Prato, A Simple Road for the Transformation of Few-Layer Graphene into MWNTs, «JOURNAL OF THE AMERICAN CHEMICAL SOCIETY», 2012, 134, pp. 13310 - 13315 [Scientific article]
M. Calvaresi; M. Stenta; M. Garavelli; P. Altoé; A. Bottoni, Computational Evidence for the Catalytic Mechanism of Human Glutathione S-Transferase A3-3: A QM/MM Investigation, «ACS CATALYSIS», 2012, 2, pp. 280 - 286 [Scientific article]
FERMANI S.; TRIVELLI X.; SPARLA F.; THUMIGER A.; CALVARESI M.; MARRI L.; FALINI G.; ZERBETTO F.; TROST P., Conformational selection and folding-upon-binding of
intrinsically disordered protein CP12 regulate photosynthetic enzymes assembly, «THE JOURNAL OF BIOLOGICAL CHEMISTRY», 2012, 287, pp. 21372 - 21383 [Scientific article]
C. Boga; M. Calvaresi; P. Franchi; M. Lucarini; S. Fazzini; D. Spinelli; D. Tonelli, Electron reduction processes of nitrothiophenes. A systematic approach by DFT computations, cyclic voltammetry and E-ESR spectroscopy, «ORGANIC & BIOMOLECULAR CHEMISTRY», 2012, 10, pp. 7986 - 7995 [Scientific article]
M. Calvaresi; S. Höfinger; F. Zerbetto, Local Ice Melting by an Antifreeze Protein, «BIOMACROMOLECULES», 2012, 13, pp. 2046 - 2052 [Scientific article]
M. Calvaresi; S. Hoefinger; F. Zerbetto, Probing the Structure of Lysozyme–Carbon-Nanotube Hybrids with Molecular Dynamics, «CHEMISTRY-A EUROPEAN JOURNAL», 2012, 18, pp. 4308 - 4313 [Scientific article]
X. Liu; H. Kuzmany; P. Ayala; M. Calvaresi; F. Zerbetto; T. Pichler, Selective Enhancement of Photoluminescence in Filled Single-Walled Carbon Nanotubes, «ADVANCED FUNCTIONAL MATERIALS», 2012, 22, pp. 3202 - 3208 [Scientific article]
D. Cauzzi; R. Pattacini; M. Delferro; F. Dini; C. Di Natale;
R. Paolesse; S. Bonacchi; M. Montalti; N. Zaccheroni; M. Calvaresi; F. Zerbetto; L. Prodi, Temperature-Dependent Fluorescence of Cu5 Metal Clusters: A
Molecular Thermometer, «ANGEWANDTE CHEMIE. INTERNATIONAL EDITION», 2012, 51, pp. 9662 - 9665 [Scientific article]
Hofinger S.; Melle-Franco M.; Gallo T.; Cantelli A.; Calvaresi M.; Gomes J.A.N.F.; Zerbetto F., A computational analysis of the insertion of carbon nanotubes into cellular membranes, «BIOMATERIALS», 2011, 32, pp. 7079 - 7085 [Scientific article]
F. Palazzesi; M. Calvaresi; F. Zerbetto, A molecular dynamics investigation of structure and dynamics of SDS and SDBS micelles, «SOFT MATTER», 2011, 7, pp. 9148 - 9156 [Scientific article]
A. Bottoni; G. P. Miscione; M. Calvaresi, Computational evidence for the substrate-assisted catalytic mechanism of O-GlcNAcase. A DFT investigation, «PHYSICAL CHEMISTRY CHEMICAL PHYSICS», 2011, 13, pp. 9568 - 9577 [Scientific article]
M. Calvaresi; F. Zerbetto, Fullerene sorting proteins, «NANOSCALE», 2011, 3, pp. 2873 - 2881 [Scientific article]
M. Calvaresi; G. Falini; S. Bonacchi; D. Genovese; S. Fermani; M. Montalti; L. Prodi; F. Zerbetto, Fullerenol entrapment in calcite microspheres, «CHEMICAL COMMUNICATIONS», 2011, 47, pp. 10662 - 10664 [Scientific article]
