Computer simulation of protein folding

Nature. 1975 Feb 27;253(5494):694-8. doi: 10.1038/253694a0.


A new and very simple representation of protein conformations has been used together with energy minimisation and thermalisation to simulate protein folding. Under certain conditions, the method succeeds in "renaturing" bovine pancreatic trypsin inhibitor from an open-chain conformation into a folded conformation close to that of the native molecule.

MeSH terms

  • Amino Acid Sequence
  • Animals
  • Cattle
  • Computers
  • Models, Chemical*
  • Models, Molecular
  • Protein Conformation*
  • Trypsin Inhibitors


  • Trypsin Inhibitors