The thermodynamic properties of a 46-mer b-barrel protein model are investigated using Langevin dynamics and the histogram analysis method. By obtaining the density of states distribution and using the methods of statistical mechanics, we are able to identify the thermodynamic transitions for this m
A heteropolymer model study for the mechanism of protein folding
β Scribed by Masataka Fukugita; David Lancaster; Mark G. Mitchard
- Publisher
- Wiley (John Wiley & Sons)
- Year
- 1997
- Tongue
- English
- Weight
- 913 KB
- Volume
- 41
- Category
- Article
- ISSN
- 0006-3525
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β¦ Synopsis
4 It('[['r<)[){]l!fn
('r tnodel (d rundoml~.scll~in(eruc[itrgchuirrs /n [MOdimcn.sitms is .studicd Lt'i[h numericul ,sitnulu(ions {n order [C]
ehicida(e th(~.ji]ldingmechanism oj protein. H),find (hat the model occasionally . SIMN{ .S,li~lding propen.si[~,depending on [he .wqacnce ()/" random namber.y given t~~ [he chuin. H"c.SIIId?I the thertnodynami( and,kirwmu[ic rok'.sin the Waling mechani~m fty grouping the local cnerg~minima jimnd in rhe .simli [ation.s iruo lh~.~tcrvaccording [c) [fw .simijari[~~of Iheir c'wtjiwrnu[i(wts. 1[ i.s .vaggm[ed [ha[ thc k)' .smull d[~limnulitm.s. B 2 .sliggtv[ !ha[ a hierarchical (Ia.vier struci we pla~+.v an irnportunt role in .sclc~[in,qa unique jiidcd .s[ate (nl[ (?i'lhehtlge n umtrcr ffhxal min inra of ht~[~>ropc)l~'tni~rs. @ 1997
π SIMILAR VOLUMES
We have calculated the free energy of a spherical model of a protein or part of a protein generated in the way of protein folding. Two spherical models are examined; one is a homogeneous model consisting of only one residue type-hydrophobic. The other is a heterogeneous model consisting of two resid