A Constraint-Based Approach to Fast and Exact Structure Prediction in Three-Dimensional Protein Models

被引：0
作者：
Rolf Backofen
Sebastian Will
机构：
[1] Friedrich-Schiller-Universität Jena,Chair for Bioinformatics, Institute of Computer Science
[2] Jena Center for Bioinformatics,undefined
来源：
Constraints | 2006年 / 11卷
关键词：
Protein structure prediction; HP-model; Face-centered cubic lattice; Constraint programming;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
Simplified protein models are used for investigating general properties of proteins and principles of protein folding. Furthermore, they are suited for hierarchical approaches to protein structure prediction. A well known protein model is the HP-model of Lau and Dill [Lau, K. F., & Dill, K. A. (1989)]. A lattice statistical mechanics model of the conformational and sequence spaces of proteins. Macromolecules, 22, 3986–3997) which models the important aspect of hydrophobicity. One can define the HP-model for various lattices, among them two-dimensional and three-dimensional ones. Here, we investigate the three-dimensional case. The main motivation for studying simplified protein models is to be able to predict model structures much more quickly and more accurately than is possible for real proteins. However, up to now there was a dilemma: the algorithmically tractable, simple protein models can not model real protein structures with good quality and introduce strong artifacts.
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页码：5 / 30
页数：25
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