Limited conformational space for early-stage protein folding simulation

TitleLimited conformational space for early-stage protein folding simulation
Publication TypeJournal Article
Year of Publication2004
AuthorsBrylinski M, Jurkowski W, Konieczny L, Roterman I
JournalBioinformatics
Volume20
Issue2
Pagination199-205
Date Published2004 Jan 22
ISSN1367-4803
KeywordsAlgorithms, Aprotinin, Binding Sites, Computer Simulation, Energy Transfer, Models, Molecular, Motion, Protein Binding, Protein Conformation, Protein Folding, Proteins
Abstract

The problem of early-stage protein folding is critical for protein structure prediction. The model presented introduces a common definition of protein structures which may be treated as the possible in silico early-stage form of the polypeptide chain. Limitation of the conformational space to the ellipse path on the Ramachandran map was tested as a possible sub-space to represent the early-stage structure for simulation of protein folding. The proposed conformational sub-space was developed on the basis of the backbone conformation, with side-chain interactions excluded.

Alternate JournalBioinformatics (Oxford, England)
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