New method for determining size of critical nucleus of fibril formation of polypeptide chains

J Chem Phys. 2012 Sep 7;137(9):095101. doi: 10.1063/1.4749257.

Abstract

A new method for determining the size of critical nucleus of fibril formation of polypeptide chains is proposed. Based on the hypothesis that the fibril grows by addition of a nascent peptide to the preformed template, the nucleus size N(c) is defined as the number of forming template peptides above which the time to add a new monomer becomes independent of the template size. Using lattice models one can show that our method and the standard method which is based on calculation of the free energy, provide the same result for N(c).

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Models, Molecular*
  • Monte Carlo Method
  • Peptides / chemistry*
  • Protein Folding
  • Protein Multimerization*
  • Protein Structure, Secondary
  • Temperature
  • Thermodynamics

Substances

  • Peptides