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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