Multiscale simulations of protein and membrane systems

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.

Automated summary

Classical multiscale simulations are highly useful for investigating biological soft matter systems, providing access to biologically relevant scales and timescales. Recent research has focused on increasingly complex biological systems and processes, including multidomain proteins, phase separation in biopolymer solutions, multicomponent biomembranes, and entire viruses.