A new approach to the rapid determination of protein side chain conformations

J Biomol Struct Dyn. 1991 Jun;8(6):1267-89. doi: 10.1080/07391102.1991.10507882.

Abstract

Two efficient algorithms have been developed which allow amino acid side chain conformations to be optimized rapidly for a given peptide backbone conformation. Both these approaches are based on the assumption that each side chain can be represented by a small number of rotameric states. These states have been obtained by a dynamic cluster analysis of a large data base of known crystallographic structures. Successful applications of these algorithms to the prediction of known protein conformations are presented.

MeSH terms

  • Algorithms
  • Amino Acid Sequence
  • Amino Acids
  • Calorimetry
  • Models, Molecular
  • Molecular Sequence Data
  • Plant Proteins / chemistry
  • Protein Conformation*
  • Proteins / chemistry*

Substances

  • Amino Acids
  • Plant Proteins
  • Proteins
  • crambin protein, Crambe abyssinica