This title appears in the Scientific Report :
2020
Please use the identifier:
http://hdl.handle.net/2128/26673 in citations.
Aggregation and coacervation with Monte Carlo simulations
Aggregation and coacervation with Monte Carlo simulations
Protein aggregation into oligomeric species has been linked to a number of neurodegenerative diseases. The ability to assemble into ordered fibril-like forms under certain conditions is now regarded as a very common property of polypeptide chains. A different form of assembly is known for some prote...
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Personal Name(s): | Mohanty, Sandipan (Corresponding author) |
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Contributing Institute: |
Jülich Supercomputing Center; JSC |
Published in: |
Computational Approaches for Understanding Dynamical Systems: Protein Folding and Assembly |
Imprint: |
Germany
Elsevier
2020
|
Physical Description: |
505-520 |
Document Type: |
Contribution to a book |
Research Program: |
Computational Science and Mathematical Methods |
Series Title: |
Progress in Molecular Biology and Translational Science
170 |
Link: |
Get full text OpenAccess |
Publikationsportal JuSER |
Protein aggregation into oligomeric species has been linked to a number of neurodegenerative diseases. The ability to assemble into ordered fibril-like forms under certain conditions is now regarded as a very common property of polypeptide chains. A different form of assembly is known for some proteins in which protein molecules sequester into liquid-like droplets. Understanding the biophysical mechanisms behind these phenomena is of great relevance not only for deeper insights into the associated disorders but also for any protein-based therapeutics. Here we review a few examples of the use of Markov chain Monte Carlo simulations in the study of these two forms of protein assembly. |