ISSN:
1432-2234
Keywords:
Key words: Protein folding
;
Simplified models
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Abstract. An effective approach for evaluating folding free-energy surfaces of explicit all-atom models is developed and examined. This approach is based on using the potential of a simplified protein model as a reference potential for calculating the free energy of the corresponding explicit model. Preliminary results are presented for the folding free energy of a 12-residue helix. The potential of the method for studies of protein-folding processes is discussed, emphasizing the ability to determine the difference between the results of simplified and explicit models. This can help in establishing the validity of simplified folding models.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/s002140050516
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