## Abstract The basic equations for the elementary step in the diffusion–collision–coalescence model of protein folding are derived for the case of two radially diffusing spherical microdomains. Refinements and biological implications of the mechanism are considered; included are detailed discussio
Diffusion–collision model algorithms for protein folding kinetics
✍ Scribed by Zlatko Vasilkoski; David L. Weaver
- Publisher
- John Wiley and Sons
- Year
- 2004
- Tongue
- English
- Weight
- 114 KB
- Volume
- 25
- Category
- Article
- ISSN
- 0192-8651
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✦ Synopsis
Abstract
The diffusion–collision model (DCM) of protein folding is described qualitatively and quantitatively. The input parameters required to perform a calculation are explained, and the output data are outlined. Three examples are given of calculating DCM folding kinetics: the Engrailed Homeodomain (a three‐helix bundle with three helical microdomains, pdb code 1ENH), protein G (with three microdomains having a β‐hairpin‐α‐helix‐β‐hairpin motif, pdb code 1PGA), and apomyoglobin (with eight helices and seven strong microdomain–microdomain pairings). © 2004 Wiley Periodicals, Inc. J Comput Chem 25: 1101–1107, 2004
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