Metal ions and intrinsically disordered proteins and peptides: from Cu/Zn amyloid-β to general principles P Faller, C Hureau, G La Penna Accounts of chemical research 47 (8), 2252-2259, 2014 | 264 | 2014 |
Free Superoxide is an Intermediate in the Production of H2O2 by Copper(I)‐Aβ Peptide and O2 K Reybier, S Ayala, B Alies, JV Rodrigues, S Bustos Rodriguez, ... Angewandte Chemie 128 (3), 1097-1101, 2016 | 122 | 2016 |
Polyphenols as potential metal chelation compounds against Alzheimer’s disease J Lakey-Beitia, AM Burillo, G La Penna, ML Hegde, KS Rao Journal of Alzheimer's Disease 82 (s1), S335-S357, 2021 | 104 | 2021 |
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 |
Impact of Cu(II) Binding on Structures and Dynamics of Aβ42 Monomer and Dimer: Molecular Dynamics Study PDQ Huy, QV Vuong, G La Penna, P Faller, MS Li ACS chemical neuroscience 7 (10), 1348-1363, 2016 | 73 | 2016 |
Identifying, by first-principles simulations, Cu [amyloid-β] species making Fenton-type reactions in Alzheimer’s disease G La Penna, C Hureau, O Andreussi, P Faller The Journal of Physical Chemistry B 117 (51), 16455-16467, 2013 | 62 | 2013 |
Hyaluronan chain conformation and dynamics S Furlan, G La Penna, A Perico, A Cesàro Carbohydrate research 340 (5), 959-970, 2005 | 62 | 2005 |
Exploring the Reactions of β-Amyloid (Aβ) Peptide 1–28 with AlIII and FeIII Ions D Valensin, C Migliorini, G Valensin, E Gaggelli, G La Penna, ... Inorganic Chemistry 50 (15), 6865-6867, 2011 | 54 | 2011 |
Molecular dynamics studies on superoxide dismutase and its mutants: the structural and functional role of Arg 143 L Banci, P Carloni, G La Penna, PL Orioli Journal of the American Chemical Society 114 (18), 6994-7001, 1992 | 52 | 1992 |
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 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 | 43 | 2012 |
The transition state in the isomerization of rhodopsin G La Penna, F Buda, A Bifone, HJM de Groot Chemical physics letters 294 (6), 447-453, 1998 | 42 | 1998 |
Zn induced structural aggregation patterns of β-amyloidpeptides by first-principle simulations and XAS measurements P Giannozzi, K Jansen, GL Penna, V Minicozzi, S Morante, G Rossi, ... Metallomics 4 (2), 156-165, 2012 | 39 | 2012 |
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 | 37 | 2009 |
Designing generalized statistical ensembles for numerical simulations of biopolymers G La Penna, S Morante, A Perico, GC Rossi The Journal of chemical physics 121 (21), 10725-10741, 2004 | 34 | 2004 |
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 |
Dioxygen activation in the Cu–amyloid β complex A Mirats, J Alí-Torres, L Rodríguez-Santiago, M Sodupe, G La Penna Physical Chemistry Chemical Physics 17 (41), 27270-27274, 2015 | 30 | 2015 |
Generalized electrostatic model of the wrapping of DNA around oppositely charged proteins L Arcesi, GL Penna, A Perico Biopolymers: Original Research on Biomolecules 86 (2), 127-135, 2007 | 30 | 2007 |
A rigid core‐flexible chain model for mesogenic molecules in molecular dynamics simulations of liquid crystals G La Penna, D Catalano, CA Veracini The Journal of chemical physics 105 (16), 7097-7110, 1996 | 29 | 1996 |
A first-principle calculation of the XANES spectrum of Cu2+ in water G La Penna, V Minicozzi, S Morante, GC Rossi, F Stellato The Journal of Chemical Physics 143 (12), 2015 | 26 | 2015 |