Journal Article

FZJ-2016-05813

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Conformational ensemble of human α-synuclein physiological form predicted by molecular simulations

Rossetti, G.FZJ* ; Musiani, F. ; Abad, E.FZJ* ; Dibenedetto, D.FZJ* ; Mouhib, H. ; Fernandez, C. O. ; Carloni, P. (Corresponding author)FZJ*

2016
RSC Publ. Cambridge

This record in other databases:      

Please use a persistent id in citations: doi:10.1039/C5CP04549E

Abstract: We perform here enhanced sampling simulations of N-terminally acetylated human α-synuclein, an intrinsically disordered protein involved in Parkinson's disease. The calculations, consistent with experiments, suggest that the post-translational modification leads to the formation of a transient amphipathic α-helix. The latter, absent in the non-physiological form, alters protein dynamics at the N-terminal and intramolecular interactions.

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Contributing Institute(s):

1. Computational Biomedicine (IAS-5)
2. Computational Biomedicine (INM-9)
3. Jülich Supercomputing Center (JSC)

Research Program(s):

1. 511 - Computational Science and Mathematical Methods (POF3-511) (POF3-511)

Appears in the scientific report 2016

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Database coverage:
; Allianz-Lizenz / DFG ; Current Contents - Physical, Chemical and Earth Sciences ; IF < 5 ; JCR ; NCBI Molecular Biology Database ; Nationallizenz ; No Authors Fulltext ; SCOPUS ; Science Citation Index ; Science Citation Index Expanded ; Thomson Reuters Master Journal List ; Web of Science Core Collection

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