First Principles Calculation of Protein–Protein Dimer Affinities of ALS-Associated SOD1 Mutants

First Principles Calculation of Protein–Protein Dimer Affinities of ALS-Associated SOD1 Mutants

Cu,Zn superoxide dismutase (SOD1) is a 32 kDa homodimer that converts toxic oxygen radicals in neurons to less harmful species. The dimerization of SOD1 is essential to the stability of the protein. Monomerization increases the likelihood of SOD1 misfolding into conformations associated with aggrega...

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Bibliographic Details
Main Authors: Shawn C. C. Hsueh, Mark Nijland, Xubiao Peng, Benjamin Hilton, Steven S. Plotkin
Format: Article
Language:English
Published: Frontiers Media S.A. 2022-03-01
Series:Frontiers in Molecular Biosciences
Subjects:
protein misfolding (conformational) diseases
amyotrophic lateral sclerosis
molecular dynamics simulations
superoxide dismutase (Cu–Zn)
dimer dissociation
protein–protein interactions
Online Access:https://www.frontiersin.org/articles/10.3389/fmolb.2022.845013/full

Internet

https://www.frontiersin.org/articles/10.3389/fmolb.2022.845013/full

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