- Author
- Date
- 27-1-2015
- Title
- Exploring the Phase Space of Alpha-Synuclein with Replica Exchange Simulations
- Journal
- Biophysical Journal
- Volume | Issue number
- 108 | 2, suppl. 1
- Pages (from-to)
- 63A
- Number of pages
- 1
- Document type
- Meeting Abstract
- Faculty
- Faculty of Science (FNWI)
- Institute
- Van 't Hoff Institute for Molecular Sciences (HIMS)
- Abstract
-
α-Synuclein (AS) is a intrinsically disordered protein involved in the pathogenesis of Parkinson's disease, which is known to form toxic aggregates as well as fibrils. From a computational point of view, it represents a challenging system, as the protein can be found in multiple conformers, separated by many high free energy barriers. To overcome these barriers, we conducted replica exchange molecular dynamics. Using the Amber force field in implicit solvent for the AS monomer, we find transitions between states with both alpha helix, beta sheet and disordered structure.
- URL
- go to publisher's site
- Language
- English
- Persistent Identifier
- https://hdl.handle.net/11245/1.500045
- Downloads
-
Exploring the Phase Space(Final published version)
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