Fast protein folding on downhill energy landscape

Protein Sci. 2003 Aug;12(8):1801-3. doi: 10.1110/ps.0366103.

Abstract

Proteins fold in a time range of microseconds to minutes despite the large amount of possible conformers. Molecular dynamics simulations of a three-stranded antiparallel beta-sheet peptide (for a total of 12.6 microsec and 72 folding events) show that at the melting temperature the unfolded state ensemble contains many more conformers than those sampled during a folding event.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Algorithms
  • Computer Simulation
  • Models, Chemical
  • Protein Folding*
  • Protein Structure, Secondary
  • Proteins / chemistry*
  • Proteins / metabolism*
  • Thermodynamics
  • Time Factors

Substances

  • Proteins