Combining experiment and simulation in protein folding: closing the gap for small model systems

R. Dustin Schaeffer, Alan Fersht, Valerie Daggett

Research output: Contribution to journalReview article

79 Scopus citations


All-atom molecular dynamics (MD) simulations on increasingly powerful computers have been combined with experiments to characterize protein folding in detail over wider time ranges. The folding of small ultrafast folding proteins is being simulated on μs timescales, leading to improved structural predictions and folding rates. To what extent is 'closing the gap' between simulation and experiment for such systems providing insights into general mechanisms of protein folding?

Original languageEnglish (US)
Pages (from-to)4-9
Number of pages6
JournalCurrent Opinion in Structural Biology
Issue number1
Publication statusPublished - Feb 1 2008


ASJC Scopus subject areas

  • Molecular Biology
  • Structural Biology

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