[Attainment of an energy minimum by a protein chain does not require a complete sorting of conformations: a computerized experiment and phenomenological theory].
We investigate how a protein chain achieves the lowest energy state by Monte Carlo simulation using a simple beta-sheet protein model. We show the existence of an optimal temperature range where the energy minimum is found quickly without any exhaustive sorting of the chain conformations even for random sequences. This optimal temperature range is determined by the critical temperature characteristic for the onset of freezing-out of a few lowest-energy chain folds. A simple phenomenological model is presented to account for this behavior of the protein chain.
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D003198:Computer Simulation; D007700:Kinetics; D008956:Models, Chemical; D009010:Monte Carlo Method; D011487:Protein Conformation; D017510:Protein Folding; D011506:Proteins / Q000737:chemistry*; D013696:Temperature
D011506:Proteins
Dostizhenie belkovoĭ tsep'iu énergeticheskogo minimuma ne trebuet polnogo perebora konformatsiĭ: komp'iuternyĭ éksperiment i fenomenologicheskaia teoriia.