Multiscale modeling of biomolecular systems: in serial and in parallel

Gary S. Ayton, Will G. Noid, Gregory A. Voth

Research output: Contribution to journalReview article

326 Scopus citations

Abstract

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.

Original languageEnglish (US)
Pages (from-to)192-198
Number of pages7
JournalCurrent Opinion in Structural Biology
Volume17
Issue number2
DOIs
StatePublished - Apr 1 2007

All Science Journal Classification (ASJC) codes

  • Structural Biology
  • Molecular Biology

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