Nature Communications (Jun 2020)

Large-scale simulation of biomembranes incorporating realistic kinetics into coarse-grained models

  • Mohsen Sadeghi,
  • Frank Noé

DOI
https://doi.org/10.1038/s41467-020-16424-0
Journal volume & issue
Vol. 11, no. 1
pp. 1 – 13

Abstract

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Explicit molecular modelling of biological membrane systems is computationally expensive due to the large number of solvent particles and slow membrane kinetics. Here authors present a framework for integrating coarse-grained membrane models with continuum-based hydrodynamics which facilitates efficient simulation of large biomembrane systems.