Current Challenges and Limitations in the Studies of Intrinsically Disordered Proteins in Neurodegenerative Diseases by Computer Simulations
Document Type
Article
Publication Date
2020
Keywords
Alzheimer's Disease, Amyloid-β, α-synuclein, Neurodegenerative Diseases, Intrinsically Disordered Proteins, Computer Simulations
Digital Object Identifier (DOI)
http://dx.doi.org/10.2174/1567205017666201109094908
Abstract
Experiments face challenges in the analysis of intrinsically disordered proteins in solution due to fast conformational changes and enhanced aggregation propensity. Computational studies complement experiments, being widely used in the analyses of intrinsically disordered proteins, especially those positioned at the centers of neurodegenerative diseases. However, recent investigations – including our own – revealed that computer simulations face significant challenges and limitations themselves. In this review, we introduced and discussed some of the scientific challenges and limitations of computational studies conducted on intrinsically disordered proteins. We also outlined the importance of future developments in the areas of computational chemistry and computational physics that would be needed for generating more accurate data for intrinsically disordered proteins from computer simulations. Additional theoretical strategies that can be developed are discussed herein.
Was this content written or created while at USF?
Yes
Citation / Publisher Attribution
Current Alzheimer Research, v. 17, issue 9, p. 805-818
Scholar Commons Citation
Akbaryak, Ibrahim Y.; Caglayan, Sule I.; Ozcan, Zilan; Uversky, Vladimir N.; and Coskuner-Weber, Orkid, "Current Challenges and Limitations in the Studies of Intrinsically Disordered Proteins in Neurodegenerative Diseases by Computer Simulations" (2020). Molecular Medicine Faculty Publications. 849.
https://digitalcommons.usf.edu/mme_facpub/849
