Perfect temperature for protein structure prediction and folding

Proteins. 1995 Oct;23(2):151-62. doi: 10.1002/prot.340230205.

Abstract

We have investigated the influence of the "noise" of inevitable errors in energetic parameters on protein structure prediction. Because of this noise, only a part of all the interactions operating in a protein chain can be taken into account, and therefore a search for the energy minimum becomes inadequate for protein structure prediction. One can rather rely on statistical mechanics: a calculation carried out at a temperature T* somewhat below that of protein melting gives the best possible, though always approximate prediction. The early stages of protein folding also "take into account" only a part of all the interactions; consequently, the same temperature T* is favorable for the self-organization of native-like intermediates in protein folding.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Computer Simulation*
  • Models, Molecular*
  • Protein Conformation*
  • Protein Denaturation
  • Protein Folding*
  • Temperature*
  • Thermodynamics