Effective energy functions for protein structure prediction.
Protein structure prediction, fold recognition, homology modeling and design rely mainly on statistical effective energy functions. Although the theoretical foundation of such functions is not clear, their usefulness has been demonstrated in many applications. Molecular mechanics force fields, particularly when augmented by implicit solvation models, provide physical effective energy functions that are beginning to play a role in this area.
Lazaridis
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Department of Chemistry, City College of CUNY, New York, NY 10031, USA. themis@sci.ccny.edu
Karplus
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D000818:Animals; D019277:Entropy; D006801:Humans; D008956:Models, Chemical; D011487:Protein Conformation; D017510:Protein Folding; D012997:Solvents; D013816:Thermodynamics; D014732:Vibration
D012997:Solvents