Maximum entropy approach for deducing amino Acid interactions in proteins

Phys Rev Lett. 2008 Feb 22;100(7):078102. doi: 10.1103/PhysRevLett.100.078102. Epub 2008 Feb 20.


We present a maximum entropy approach for inferring amino acid interactions in proteins subject to constraints pertaining to the mean numbers of various types of equilibrium contacts for a given sequence or a set of sequences. We have carried out several kinds of tests for a two-dimensional lattice model with just two types of amino acids with very promising results. We also show that the method works very well even when the mean numbers of contacts are not known and therefore can be applied to real proteins.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Amino Acids / chemistry*
  • Entropy
  • Models, Chemical*
  • Protein Conformation
  • Proteins / chemistry*


  • Amino Acids
  • Proteins