TY - JOUR KW - Computer Simulation KW - Protein Folding KW - Protein Structure, Secondary KW - Thermodynamics KW - Algorithms KW - Models, Chemical KW - Proteins KW - Time Factors AU - A. Cavalli AU - U. Haberthür AU - E. Paci AU - A. Caflisch AB -

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 β-sheet peptide (for a total of 12.6 μs 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.

BT - Protein Science C1 - 0050 DA - 2003 Aug DO - 10.1110/ps.0366103 IS - 8 J2 - Protein Sci. LA - eng M3 - Research Article N2 -

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 β-sheet peptide (for a total of 12.6 μs 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.

PY - 2003 SP - 1801 EP - 1803 T2 - Protein Science TI - Fast protein folding on downhill energy landscape VL - 12 SN - 0961-8368 ER -