四面体离散differential geometry与蛋白质局部结构编码
Discrete differential geometry of tetrahedrons and encoding of local protein structure
摘要:
蛋白质局部结构分析为蛋白质结构分析提供了丰富的信息,并已成功地应用于蛋白质结构预测等领域。蛋白质具有重复的结构特征,例如螺旋帽和β转角,其通常具有强烈的氨基酸序列偏好。局部结构分析的挑战在于识别和分配这些常见的短结构基序。本文提出了一个新的数学框架,可应用于蛋白质的局部结构的分析,其中局部构象的蛋白质骨架使用微分几何的折叠四面体序列描述。利用该框架,我们可以在没有任何结构模板的情况下捕获重复出现的结构特征,这使得局部结构分析不仅简单,而且更客观。程序和示例可从http://www.genocript.com获得。
英文摘要:
Local protein structure analysis is informative to protein structure analysis and has been used successfully in protein structure prediction and others. Proteins have recurring structural features, such as helix caps and beta turns, which often have strong amino acid sequence preferences. And the challenges for local structure analysis have been identification and assignment of such common short structural motifs. This paper proposes a new mathematical framework that can be applied to analysis of the local structure of proteins, where local conformations of protein backbones are described using differential geometry of folded tetrahedron sequences. Using the framework, we could capture the recurring structural features without any structural templates, which makes local structure analysis not only simpler, but also more objective. Programs and examples are available from http://www.genocript.com .
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