Abstract:
:In the context of reduced protein models, Monte Carlo simulations of three de novo designed helical proteins (four-member helical bundle) were performed. At low temperatures, for all proteins under consideration, protein-like folds having different topologies were obtained from random starting conformations. These simulations are consistent with experimental evidence indicating that these de novo designed proteins have the features of a molten globule state. The results of Monte Carlo simulations suggest that these molecules adopt four-helix bundle topologies. They also give insight into the possible mechanism of folding and association, which occurs in these simulations by on-site assembly of the helices. The low-temperature conformations of all three sequences have the features of a molten globule state.
journal_name
Biophys Jjournal_title
Biophysical journalauthors
Sikorski A,Kolinski A,Skolnick Jdoi
10.1016/S0006-3495(98)77497-1subject
Has Abstractpub_date
1998-07-01 00:00:00pages
92-105issue
1eissn
0006-3495issn
1542-0086pii
S0006-3495(98)77497-1journal_volume
75pub_type
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