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Conformational ensemble of human [small alpha]-synuclein physiological form predicted by molecular simulations

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Phys. Chem. Chem. Phys., 2015, Accepted Manuscript
DOI: 10.1039/C5CP04549E, Communication
Giulia Rossetti, Francesco Musiani Musiani, Enrique Abad, Domenica Dibenedetto, Halima Mouhib, Claudio O Fernandez, Paolo Carloni
We perform here enhanced sampling simulations of N-terminally acetylated human [small alpha]-synuclein, an intrinsically disordered protein involved in Parkinson's Disease. The calculations, consistent with experiments, suggest that the post-translational modification leads...
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