Modeling the Cu+ Binding in the 1−16 Region of the Amyloid-β Peptide Involved in Alzheimer’s Disease S Furlan, C Hureau, P Faller, G La Penna The journal of physical chemistry B 114 (46), 15119-15133, 2010 | 77 | 2010 |
Density functional calculations of photoionization with an exchange-correlation potential with the correct asymptotic behaviour M Stener, S Furlan, P Decleva Journal of Physics B: Atomic, Molecular and Optical Physics 33 (5), 1081, 2000 | 69 | 2000 |
Hyaluronan chain conformation and dynamics S Furlan, G La Penna, A Perico, A Cesàro Carbohydrate research 340 (5), 959-970, 2005 | 67 | 2005 |
Palladium complexes with 3-alkyl-substituted-1, 10-phenanthrolines: effect of the remote alkyl substituent on the CO/olefin copolymerization reactions A Scarel, B Milani, E Zangrando, M Stener, S Furlan, G Fronzoni, ... Organometallics 23 (23), 5593-5605, 2004 | 47 | 2004 |
Modeling copper binding to the amyloid-β peptide at different pH: toward a molecular mechanism for Cu reduction S Furlan, C Hureau, P Faller, G La Penna The Journal of Physical Chemistry B 116 (39), 11899-11910, 2012 | 44 | 2012 |
Ab initio simulations of Cu binding sites on the N-terminal region of prion protein S Furlan, G La Penna, F Guerrieri, S Morante, GC Rossi JBIC Journal of Biological Inorganic Chemistry 12, 571-583, 2007 | 44 | 2007 |
Modeling of the Zn 2+ binding in the 1–16 region of the amyloid β peptide involved in Alzheimer’s disease S Furlan, G La Penna Physical Chemistry Chemical Physics 11 (30), 6468-6481, 2009 | 38 | 2009 |
Valence and core photoemission in M@ C60 (M= Be, Mg, Ca) M Stener, G Fronzoni, D Toffoli, P Colavita, S Furlan, P Decleva Journal of Physics B: Atomic, Molecular and Optical Physics 35 (6), 1421, 2002 | 37 | 2002 |
High energy oscillations in the valence photoionization partial cross-section of C60 P Decleva, S Furlan, G Fronzoni, M Stener Chemical physics letters 348 (5-6), 363-367, 2001 | 35 | 2001 |
Modeling the interplay of glycine protonation and multiple histidine binding of copper in the prion protein octarepeat subdomains F Guerrieri, V Minicozzi, S Morante, G Rossi, S Furlan, G La Penna JBIC Journal of Biological Inorganic Chemistry 14, 361-374, 2009 | 33 | 2009 |
Steering the chemistry of carbon oxides on a NiCu catalyst E Vesselli, E Monachino, M Rizzi, S Furlan, X Duan, C Dri, A Peronio, ... Acs Catalysis 3 (7), 1555-1559, 2013 | 32 | 2013 |
Theoretical study of the photoionization shape resonances of cobaltocene and nickelocene G Fronzoni, M Stener, S Furlan, P Decleva Chemical Physics 273 (2-3), 117-133, 2001 | 23 | 2001 |
Electronic properties of the boroxine–gold interface: evidence of ultra-fast charge delocalization D Toffoli, M Stredansky, Z Feng, G Balducci, S Furlan, M Stener, ... Chemical Science 8 (5), 3789-3798, 2017 | 22 | 2017 |
Density functional calculations of valence and core photoionization of C 6 H 6 with an exchange-correlation potential with the correct asymptotic behaviour M Stener, S Furlan, P Decleva Physical Chemistry Chemical Physics 3 (1), 19-28, 2001 | 21 | 2001 |
The interactions of nitrogen dioxide with graphene-stabilized Rh clusters: a DFT study S Furlan, P Giannozzi Physical Chemistry Chemical Physics 15 (38), 15896-15904, 2013 | 17 | 2013 |
Studying the Cu binding sites in the PrP N-terminal region: a test case for ab initio simulations S Furlan, G La Penna, F Guerrieri, S Morante, GC Rossi European Biophysics Journal 36, 841-845, 2007 | 15 | 2007 |
Conformational dynamics of hyaluronan oligomers in solution. 3. Molecular dynamics from Monte Carlo replica-exchange simulations and mode-coupling diffusion theory S Furlan, G La Penna, A Perico, A Cesaro Macromolecules 37 (16), 6197-6209, 2004 | 15 | 2004 |
Molecular statistics of cytochrome c: structural plasticity and molecular environment G La Penna, S Furlan, L Banci JBIC Journal of Biological Inorganic Chemistry 12, 180-193, 2007 | 13 | 2007 |
Photoionization of with the explicit continuum B-spline density-functional method M Stener, G Fronzoni, S Furlan, P Decleva The Journal of Chemical Physics 114 (1), 306-319, 2001 | 13 | 2001 |
Tailoring bimetallic alloy surface properties by kinetic control of self-diffusion processes at the nanoscale M Rizzi, S Furlan, M Peressi, A Baldereschi, C Dri, A Peronio, C Africh, ... Journal of the American Chemical Society 134 (40), 16827-16833, 2012 | 12 | 2012 |