Microsecond folding experiments and simulations: A match is made

M. B. Prigozhin, M. Gruebele

Research output: Contribution to journalReview article

Abstract

For the past two decades, protein folding experiments have been speeding up from the second or millisecond time scale to the microsecond time scale, and full-atom simulations have been extended from the nanosecond to the microsecond and even millisecond time scale. Where the two meet, it is now possible to compare results directly, allowing force fields to be validated and refined, and allowing experimental data to be interpreted in atomistic detail. In this perspective we compare recent experiments and simulations on the microsecond time scale, pointing out the progress that has been made in determining native structures from physics-based simulations, refining experiments and simulations to provide more quantitative underlying mechanisms, and tackling the problems of multiple reaction coordinates, downhill folding, and complex underlying structure of unfolded or misfolded states.

Original languageEnglish (US)
Pages (from-to)3372-3388
Number of pages17
JournalPhysical Chemistry Chemical Physics
Volume15
Issue number10
DOIs
StatePublished - Mar 14 2013

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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