REMD Simulations of Full-Length Alpha-Synuclein Together with Ligands Reveal Binding Region and Effect on Amyloid Conversion

REMD Simulations of Full-Length Alpha-Synuclein Together with Ligands Reveal Binding Region and Effect on Amyloid Conversion

Alpha-synuclein is a key protein involved in the development and progression of Parkinson’s disease and other synucleinopathies. The intrinsically disordered nature of alpha-synuclein hinders the computational screening of new drug candidates for the treatment of these neurodegenerative diseases. In...

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Bibliographic Details
Main Author: Pavel I. Semenyuk
Format: Article
Language:English
Published: MDPI AG 2022-09-01
Series:International Journal of Molecular Sciences
Subjects:
alpha-synuclein
aggregation inhibitor
molecular modeling
amyloid conversion
intrinsically disordered proteins
binding site prediction
Online Access:https://www.mdpi.com/1422-0067/23/19/11545

Internet

https://www.mdpi.com/1422-0067/23/19/11545

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