Current Opinion in Structural Biology, Год журнала: 2025, Номер 92, С. 103026 - 103026
Опубликована: Март 8, 2025
The formation and modulation of biomolecular condensates as well their structural dynamic properties are determined by an intricate interplay different driving forces, which down at the microscopic scale involve molecular interactions biological macromolecules surrounding solvent ions. Molecular simulations increasingly used to provide detailed insights into various processes thermodynamic forces play, thereby yielding mechanistic understanding aiding interpretation experiments level individual amino acid residues or even atoms. Here we summarize recent advances in field biocondensate with a focus on coarse-grained all-atom dynamics (MD) simulations. We highlight possible future challenges concerning computationally efficient physically accurate large complex systems.
Язык: Английский