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Scaling Up

Folding abstract proteins in a three-dimensional lattice is all very well and good for proving polynomial time convergence, but that doesn't provide us with a practical system for predicting protein structure. The system that follows my thesis prototype will have to accomodate the properties and problems inherent in folding real-world proteins with the following enhancements:

  • Space-filling amino acid residues which interact mechanically
  • Model Van der Wals force and electromechanical properties
  • Folding by Ramachandran angles
  • Fold within real-valued polar coordinate system

Additonal Folding Enhancements

Although not a part of tertiary folding, the following enhancements will be needed to further simulate real-world proteins.

  • Quertenary folding
  • Promoters
  • Post-translation modifications

Genetic Algorithm Enhancements

There are also several genetic algorithm issues to be addressed:

  • Termination
  • Protein Pathways
 
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