Alfonso De Simone
Alfonso De Simone
Verified email at imperial.ac.uk - Homepage
TitleCited byYear
Atomic structure and hierarchical assembly of a cross-β amyloid fibril
AWP Fitzpatrick, GT Debelouchina, MJ Bayro, DK Clare, MA Caporini, ...
Proceedings of the National Academy of Sciences 110 (14), 5468-5473, 2013
3682013
Amyloid β protein and Alzheimer’s disease: When computer simulations complement experimental studies
J Nasica-Labouze, PH Nguyen, F Sterpone, O Berthoumieu, NV Buchete, ...
Chemical reviews 115 (9), 3518-3563, 2015
3102015
Release of high-energy water as an essential driving force for the high-affinity binding of cucurbit [n] urils
F Biedermann, VD Uzunova, OA Scherman, WM Nau, A De Simone
Journal of the American Chemical Society 134 (37), 15318-15323, 2012
2922012
Determination of secondary structure populations in disordered states of proteins using nuclear magnetic resonance chemical shifts
C Camilloni, A De Simone, WF Vranken, M Vendruscolo
Biochemistry 51 (11), 2224-2231, 2012
2322012
Direct observation of the three regions in α-synuclein that determine its membrane-bound behaviour
G Fusco, A De Simone, T Gopinath, V Vostrikov, M Vendruscolo, ...
Nature communications 5, 3827, 2014
1592014
Prion and water: tight and dynamical hydration sites have a key role in structural stability
A De Simone, GG Dodson, CS Verma, A Zagari, F Fraternali
Proceedings of the National Academy of Sciences 102 (21), 7535-7540, 2005
1552005
Cucurbit [8] uril and blue-box: high-energy water release overwhelms electrostatic interactions
F Biedermann, M Vendruscolo, OA Scherman, A De Simone, WM Nau
Journal of the American Chemical Society 135 (39), 14879-14888, 2013
1092013
Structural basis of membrane disruption and cellular toxicity by α-synuclein oligomers
G Fusco, SW Chen, PTF Williamson, R Cascella, M Perni, JA Jarvis, ...
Science 358 (6369), 1440-1443, 2017
1052017
Intrinsic disorder modulates protein self-assembly and aggregation
A De Simone, C Kitchen, AH Kwan, M Sunde, CM Dobson, D Frenkel
Proceedings of the National Academy of Sciences 109 (18), 6951-6956, 2012
902012
Accurate random coil chemical shifts from an analysis of loop regions in native states of proteins
A De Simone, A Cavalli, STD Hsu, W Vranken, M Vendruscolo
Journal of the American Chemical Society 131 (45), 16332-16333, 2009
842009
Structural and hydration properties of the partially unfolded states of the prion protein
A De Simone, A Zagari, P Derreumaux
Biophysical journal 93 (4), 1284-1292, 2007
842007
Characterization of the conformational equilibrium between the two major substates of RNase A using NMR chemical shifts
C Camilloni, P Robustelli, AD Simone, A Cavalli, M Vendruscolo
Journal of the American Chemical Society 134 (9), 3968-3971, 2012
772012
Josephin domain of ataxin‐3 contains two distinct ubiquitin‐binding sites
G Nicastro, L Masino, V Esposito, RP Menon, A De Simone, F Fraternali, ...
Biopolymers: Original Research on Biomolecules 91 (12), 1203-1214, 2009
732009
Structural basis of synaptic vesicle assembly promoted by α-synuclein
G Fusco, T Pape, AD Stephens, P Mahou, AR Costa, CF Kaminski, ...
Nature communications 7, 12563, 2016
662016
Toward an accurate determination of free energy landscapes in solution states of proteins
A De Simone, B Richter, X Salvatella, M Vendruscolo
Journal of the American Chemical Society 131 (11), 3810-3811, 2009
632009
Role of hydration in collagen triple helix stabilization
A De Simone, L Vitagliano, R Berisio
Biochemical and biophysical research communications 372 (1), 121-125, 2008
612008
Experimental free energy surfaces reveal the mechanisms of maintenance of protein solubility
A De Simone, A Dhulesia, G Soldi, M Vendruscolo, STD Hsu, F Chiti, ...
Proceedings of the National Academy of Sciences 108 (52), 21057-21062, 2011
592011
Low molecular weight oligomers of amyloid peptides display -barrel conformations: A replica exchange molecular dynamics study in explicit solvent
A De Simone, P Derreumaux
The Journal of chemical physics 132 (16), 04B612, 2010
542010
Insights into stability and toxicity of amyloid-like oligomers by replica exchange molecular dynamics analyses
A De Simone, L Esposito, C Pedone, L Vitagliano
Biophysical journal 95 (4), 1965-1973, 2008
542008
The inverted free energy landscape of an intrinsically disordered peptide by simulations and experiments
D Granata, F Baftizadeh, J Habchi, C Galvagnion, A De Simone, ...
Scientific reports 5, 15449, 2015
522015
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Articles 1–20