Multiscale modeling of biomolecular systems: in serial and in parallel.
Considerable progress has been recently achieved in the multiscale modeling of complex biological processes. Multiscale models have now investigated the structure and dynamics of lipid membranes, proteins, peptides and DNA over length and time scales ranging from the atomic to the macroscopic. Serial multiscale methods that parameterize low-resolution coarse-grained models with data from high-resolution models have studied long time or length scale phenomena that cannot be investigated with atomically detailed models. Parallel multiscale methods that directly couple high- and low-resolution models have efficiently explored slow structural transitions and the importance of long-wavelength fluctuations for biological molecules. The success of such models relies upon new theories and methods for constructing accurate multiscale bridges that transfer information between models with different resolutions.
Ayton
Gary S
GS
Center for Biological Modeling and Simulation, University of Utah, Salt Lake City, UT 84112-0850, USA.
Noid
Will G
WG
Voth
Gregory A
GA
D003198:Computer Simulation; D004247:DNA / Q000737:chemistry; D008563:Membrane Lipids / Q000737:chemistry; D008958:Models, Molecular; D010455:Peptides / Q000737:chemistry; D011506:Proteins / Q000737:chemistry; D049490:Systems Biology
D008563:Membrane Lipids; D010455:Peptides; D011506:Proteins; D004247:DNA