TY  - JOUR
AU  - Rossetti, Giulia
AU  - Musiani, F.
AU  - Abad, E.
AU  - Dibenedetto, D.
AU  - Mouhib, H.
AU  - Fernandez, C. O.
AU  - Carloni, P.
TI  - Conformational ensemble of human α-synuclein physiological form predicted by molecular simulations
JO  - Physical chemistry, chemical physics
VL  - 18
IS  - 8
SN  - 1463-9084
CY  - Cambridge
PB  - RSC Publ.
M1  - FZJ-2016-05813
SP  - 5702 - 5706
PY  - 2016
AB  - 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.
LB  - PUB:(DE-HGF)16
UR  - <Go to ISI:>//WOS:000371953000003
C6  - pmid:26553504
DO  - DOI:10.1039/C5CP04549E
UR  - https://juser.fz-juelich.de/record/820521
ER  -