Energy functions for protein design.
Recent successes in protein design have illustrated the promise of computational approaches. These methods rely on energy expressions to evaluate the quality of different amino acid sequences for target protein structures. The force fields optimized for design differ from those typically used in molecular mechanics and molecular dynamics calculations.
Gordon
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Division of Chemistry and Chemical Engineering, California Institute of Technology, MC 147-75, Pasadena, CA 91125, USA.
Marshall
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Mayo
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D055598:Chemical Phenomena; D002627:Chemistry, Physical; D003198:Computer Simulation; D015195:Drug Design; D004734:Energy Metabolism; D019277:Entropy; D006860:Hydrogen Bonding; D008956:Models, Chemical; D008958:Models, Molecular; D015202:Protein Engineering; D012995:Solubility; D055672:Static Electricity