Article ; Online: Network Hamiltonian Models for Unstructured Protein Aggregates, with Application to γD-Crystallin.
The journal of physical chemistry. B
2023 Volume 127, Issue 3, Page(s) 685–697
Abstract: ... variant W42R in solution, performed by Wong, E. K.; Prytkova, V.; Freites, J. A.; Butts, C. T.; Tobias, D ...
Abstract | Network Hamiltonian models (NHMs) are a framework for topological coarse-graining of protein-protein interactions, in which each node corresponds to a protein, and edges are drawn between nodes representing proteins that are noncovalently bound. Here, this framework is applied to aggregates of γD-crystallin, a structural protein of the eye lens implicated in cataract disease. The NHMs in this study are generated from atomistic simulations of equilibrium distributions of wild-type and the cataract-causing variant W42R in solution, performed by Wong, E. K.; Prytkova, V.; Freites, J. A.; Butts, C. T.; Tobias, D. J. Molecular Mechanism of Aggregation of the Cataract-Related γD-Crystallin W42R Variant from Multiscale Atomistic Simulations. |
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MeSH term(s) | Humans ; Intrinsically Disordered Proteins/metabolism ; Protein Aggregates ; gamma-Crystallins/chemistry ; Cataract/metabolism ; Lens, Crystalline/metabolism |
Chemical Substances | Intrinsically Disordered Proteins ; Protein Aggregates ; gamma-Crystallins |
Language | English |
Publishing date | 2023-01-13 |
Publishing country | United States |
Document type | Journal Article ; Research Support, N.I.H., Extramural ; Research Support, U.S. Gov't, Non-P.H.S. |
ISSN | 1520-5207 |
ISSN (online) | 1520-5207 |
DOI | 10.1021/acs.jpcb.2c07672 |
Database | MEDical Literature Analysis and Retrieval System OnLINE |
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