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000820521 1001_ $$0P:(DE-Juel1)145921$$aRossetti, Giulia$$b0
000820521 245__ $$aConformational ensemble of human α-synuclein physiological form predicted by molecular simulations
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000820521 520__ $$aWe perform here enhanced sampling simulations of N-terminally acetylated human α-synuclein, an intrinsically disordered protein involved in Parkinson's disease. The calculations, consistent with experiments, suggest that the post-translational modification leads to the formation of a transient amphipathic α-helix. The latter, absent in the non-physiological form, alters protein dynamics at the N-terminal and intramolecular interactions.
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000820521 7001_ $$0P:(DE-HGF)0$$aDibenedetto, D.$$b3
000820521 7001_ $$0P:(DE-HGF)0$$aMouhib, H.$$b4
000820521 7001_ $$0P:(DE-HGF)0$$aFernandez, C. O.$$b5
000820521 7001_ $$0P:(DE-Juel1)145614$$aCarloni, P.$$b6$$eCorresponding author
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