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Multiscale simulations of protein and membrane systems

Authors :
Kevin Sawade
Christine Peter
Source :
Current Opinion in Structural Biology. 72:203-208
Publication Year :
2022
Publisher :
Elsevier BV, 2022.

Abstract

Classical multiscale simulations are perfectly suited to investigate biological soft matter systems. Owing to the bridging between microscopically realistic and lower-resolution models or the integration of a hierarchy of subsystems, one gets access to biologically relevant system sizes and timescales. In recent years, increasingly complex systems and processes have come into focus such as multidomain proteins, phase separation processes in biopolymer solutions, multicomponent biomembranes, or multiprotein complexes up to entire viruses. The review shows factors that have contributed to this progress - from improved models to machine-learning-based analysis and scale-bridging methods.

Details

ISSN :
0959440X
Volume :
72
Database :
OpenAIRE
Journal :
Current Opinion in Structural Biology
Accession number :
edsair.doi.dedup.....9eddcef8cba446932ebc66d34f3129fa
Full Text :
https://doi.org/10.1016/j.sbi.2021.11.010