Selected Publications
- Fusco G, Chen SW, Williamson PT, Cascella R, Perni M, Jarvis JA, Cecchi C, Vendruscolo M, Chiti F, Cremades N, Ying L, Dobson CM, De Simone A “Structural Basis of Membrane Disruption and Cellular Toxicity by α-Synuclein Oligomers” Science, 2017, 358:1440-3
- Fusco G, Pape T, Mahou P, Costa AR, Kaminski CF, Kaminski Schierle G, Vendruscolo M, Veglia G, Dobson CM, De Simone A “Structural basis of synaptic vesicle assembly induced by α-synuclein”. Nature Communications, 2016, 7:12563
- Fusco G, De Simone A, Gopinath T, Vostikov V, Vendruscolo M, Dobson CM, Veglia G. “Direct observation of the three regions in α-synuclein that determine its membrane-bound behaviour ”. Nature Communications, 2014,5:3827.
- Krieger, J., Fusco, G., Lewitzky, M., Simister, P., Marchant, J., Camilloni, C., Feller, S., De Simone, A., “Conformational Recognition of an Intrinsically Disordered Protein” Biophys. J.106, (2014), 1771-9.
- Biedermann, F., Uzunova, V., Scherman, O.A., Nau, W.M., De Simone A "Release of high-energy water as an essential driving force for the high-affinity binding of cucurbit[n]urils" J. Am. Chem. Soc.134, (2012), 15318-23.
- De Simone, A., Kitchen, C., Kwan, A., Sunde, M., Dobson, C.M., Frenkel, D., 2012, "Intrinsic Disorder Modulates Protein Self-Assembly and Aggregation" Proc. Nat. Acad. Sci. USA109, (2012), 6951-6.
- De Simone, A., Dhulesia, A., Soldi, G., Vendruscolo, M., Hsu, S.T., Chiti, F., Dobson, C.M., "Experimental Energy Surfaces Provide Insights into the Avoidance of Protein Misfolding and Aggregation" Proc. Natl. Acad. Sci. USA108, (2011), 21057-62.
Publications
Identification of small-molecule binding pockets in the soluble monomeric form of the Aβ42 peptide
– Journal of Chemical Physics
(2013)
139,
035101
(doi: 10.1063/1.4811831)
Low molecular weight oligomers of amyloid peptides display β-barrel conformations: A replica exchange molecular dynamics study in explicit solvent
– The Journal of Chemical Physics
(2010)
132,
165103
(doi: 10.1063/1.3385470)
Conformation and Dynamics of a Rhodamine Probe Attached at Two Sites on a Protein: Implications for Molecular Structure Determination in situ
– J Am Chem Soc
(2008)
130,
17120
(doi: 10.1021/ja807264v)
Role of hydration in collagen triple helix stabilization
– Biochemical and biophysical research communications
(2008)
372,
121
(doi: 10.1016/j.bbrc.2008.04.190)
Insights into stability and toxicity of amyloid-like oligomers by replica exchange molecular dynamics analyses
– Biophysical journal
(2008)
95,
1965
(doi: 10.1529/biophysj.108.129213)