AN ADAPTIVE DYNAMIC PROGRAMMING ALGORITHM FOR THE SIDE CHAIN PLACEMENT PROBLEM

机译：侧链放置问题的自适应动态规划算法

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Larger rotamer libraries, which provide a fine grained discretization of side chain conformation space by sampling near the canonical rotainers, allow protein designers to find better conformations, but slow down the algorithms that search for them. We present a dynamic programming solution to the side chain placement problem which treats rotamers at high or low resolution only as necessary. Dynamic programming is an exact technique; we turn it into an approximation, but can still analyze the error that can be introduced. We have used our algorithm to redesign the surface residues of ubiquitin's beta sheet.

机译：较大的旋转异构体文库通过在规范化的蛋白质克隆附近进行采样来提供侧链构象空间的细粒度离散化，从而使蛋白质设计人员可以找到更好的构象，但会减慢搜索它们的算法。我们提出了一种针对侧链放置问题的动态编程解决方案，该解决方案仅在必要时以高分辨率或低分辨率处理旋转异构体。动态编程是一种精确的技术。我们将其转换为近似值，但仍可以分析可引入的误差。我们已使用我们的算法重新设计泛素β片层的表面残留。

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来源
《Pacific Symposium on Biocomputing(PSB); 20050104-08; Hawaii,HI(US)》|2005年|P.16-27|共12页
会议地点 HawaiiHI(US)
作者
ANDREW LEAVER-FAY; BRIAN KUHLMAN; JACK SNOEYINK;
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UNC-Chapel Hill Chapel Hill, NC 27514, USA;

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原文格式 PDF
正文语种 eng
中图分类计算机的应用;生物工程学（生物技术）;
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AN ADAPTIVE DYNAMIC PROGRAMMING ALGORITHM FOR THE SIDE CHAIN PLACEMENT PROBLEM

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