Designing potential energy functions for protein folding.
By following a consistent line of physical reasoning, some fundamental understanding about the foldability of proteins has been achieved. In recent years, this has led to the development of a number of successful algorithms for optimizing potential energy functions for folding protein models. The differences between the folding mechanisms of simple, contact-based lattice proteins and more traditional, realistic protein models, however, still call for further development of the potentials in addition to the optimization approaches.
D000465:Algorithms; D001185:Artificial Intelligence; D008958:Models, Molecular; D017510:Protein Folding; D011506:Proteins / Q000737:chemistry; D013816:Thermodynamics