从NH残余偶极偶联中确定蛋白质主结构的精确算法

Computational Systems Bioinformatics. CSB2003. Proceedings of the 2003 IEEE Bioinformatics Conference. CSB2003 Pub Date : 2003-08-11 DOI:10.1109/CSB.2003.1227422

Lincong Wang, Ramgopal R. Mettu, R. Lilien, B. Donald

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引用次数: 3

摘要

我们已经开发了一种新的算法，用于蛋白质骨架结构的确定，该算法使用了在溶液核磁共振中测量的残余偶极偶联(RDCs)衍生的核间键向量的全局取向约束。该算法是一种深度优先搜索(DPS)策略，该策略建立在两个低次多项式方程上，用于在恒定时间内精确地从连续肽平面的两个键向量中计算主干(/spl phi/， /spl psi/)角度。

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An exact algorithm for determining protein backbone structure from NH residual dipolar couplings

We have developed a novel algorithm for protein backbone structure determination using global orientational restraints on internuclear bond vectors derived from residual dipolar couplings (RDCs) measured in solution NMR. The algorithm is a depth-first search (DPS) strategy that is built upon two low-degree polynomial equations for computing the backbone (/spl phi/, /spl psi/) angles, exactly and in constant time, from two bond vectors in consecutive peptide planes.

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来源期刊

Computational Systems Bioinformatics. CSB2003. Proceedings of the 2003 IEEE Bioinformatics Conference. CSB2003

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