Contribution to a book

FZJ-2021-00049

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Aggregation and coacervation with Monte Carlo simulations

Mohanty, S. (Corresponding author)FZJ*

2020
Elsevier Germany

Please use a persistent id in citations: http://hdl.handle.net/2128/26673

Abstract: 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.

Note: DOI: 10.1016/bs.pmbts.2019.12.005

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Contributing Institute(s):

1. Jülich Supercomputing Center (JSC)

Research Program(s):

1. 511 - Computational Science and Mathematical Methods (POF3-511) (POF3-511)

Appears in the scientific report 2020

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Database coverage:

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