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@ARTICLE{Rossetti:820521,
author = {Rossetti, Giulia and Musiani, F. and Abad, E. and
Dibenedetto, D. and Mouhib, H. and Fernandez, C. O. and
Carloni, P.},
title = {{C}onformational ensemble of human α-synuclein
physiological form predicted by molecular simulations},
journal = {Physical chemistry, chemical physics},
volume = {18},
number = {8},
issn = {1463-9084},
address = {Cambridge},
publisher = {RSC Publ.},
reportid = {FZJ-2016-05813},
pages = {5702 - 5706},
year = {2016},
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.},
cin = {IAS-5 / INM-9 / JSC},
ddc = {540},
cid = {I:(DE-Juel1)IAS-5-20120330 / I:(DE-Juel1)INM-9-20140121 /
I:(DE-Juel1)JSC-20090406},
pnm = {511 - Computational Science and Mathematical Methods
(POF3-511)},
pid = {G:(DE-HGF)POF3-511},
typ = {PUB:(DE-HGF)16},
UT = {WOS:000371953000003},
pubmed = {pmid:26553504},
doi = {10.1039/C5CP04549E},
url = {https://juser.fz-juelich.de/record/820521},
}