The role of aromaticity, exposed surface, and dipole moment in determining protein aggregation rates

Protein Sci. 2004 Jul;13(7):1939-41. doi: 10.1110/ps.04663504. Epub 2004 May 28.

Abstract

The mechanisms by which peptides and proteins form ordered aggregates are not well understood. Here we focus on the physicochemical properties of amino acids that favor ordered aggregation and suggest a parameter-free model that is able to predict the change of aggregation rates over a large set of natural sequences. Furthermore, the results of the parameter-free model correlate well with the aggregation propensities of a set of peptides designed by computer simulations.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Alzheimer Disease / metabolism
  • Amino Acids / chemistry*
  • Amino Acids / metabolism
  • Animals
  • Computer Simulation*
  • Humans
  • Prions / chemistry
  • Prions / metabolism
  • Protein Conformation
  • Protein Folding*
  • Proteins / chemistry*
  • Proteins / metabolism
  • Thermodynamics

Substances

  • Amino Acids
  • Prions
  • Proteins