Intrinsic Conformational Preferences and Interactions in α-Synuclein Fibrils: Insights from Molecular Dynamics Simulations.
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DOI: 10.1021/acs.jctc.8b00183
Abstract: Amyloid formation by the intrinsically disordered α-synuclein protein is the hallmark of Parkinson's disease. We present atomistic Molecular Dynamics simulations of the core of α-synuclein using enhanced sampling techniques to describe the conformational and binding… read more here.
Keywords: molecular dynamics; conformational preferences; preferences interactions; intrinsic conformational ... See more keywords