| 新型平均势函数在蛋白质反向折叠中的应用 |
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| 引用本文： | 王彦力,来鲁华,韩玉真,徐筱杰,唐有祺.新型平均势函数在蛋白质反向折叠中的应用[J].生物物理学报,1995,11(1):67-74. |
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| 作者姓名： | 王彦力 来鲁华 韩玉真 徐筱杰 唐有祺 |
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| 作者单位： | 北京大学化学系 |
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| 基金项目： | “863”高技术计划（863—103—22—01）及攀登计划“生命过程中的化学问题研究”资助 |
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| 摘 要： | 利用蛋白质主链的极性分数及主链二面角为参量，构建了一种基于蛋白质结构数据库的势函数。将该势函数应用于蛋白质反向折叠研究中，发现该函数可成功地将蛋白质分子的天然构象从构建的构象库中识别出来；将一目标序列与构象库的每一可能的构象匹配，并用该势函数计算相应的能量，结果表明对绝大多数蛋白质分子来说，天然的构象的能量值总是最低。此外，该函数还将一些序列相似性较低，而结构相似性较高的蛋白质分子识别出来。我们认
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| 关 键 词： | 蛋白质 蛋白质结构 预测 反向折叠 平均势 |
APPLICATION OF A NEW POTENTIAL OF MEAN FORCE IN PROTEIN INVERSE FOLDING PROBLEM |
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| Wang Yanli, Lai Luhua, Han Yuzhen, Xu Xiaojie, Tang Youqi.APPLICATION OF A NEW POTENTIAL OF MEAN FORCE IN PROTEIN INVERSE FOLDING PROBLEM[J].Acta Biophysica Sinica,1995,11(1):67-74. |
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| Authors: | Wang Yanli Lai Luhua Han Yuzhen Xu Xiaojie Tang Youqi |
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| Abstract: | A new potential is compilated and applied to protein inverse folding study successfully . It is a knowledge-based potential and consists of two characteristics: protein main chain polar fraction and dihedral angles. It is found that, for most of the tested proteins, this potential could recognize the native conformation among thousands, or even ten thousands of alternatives. In addition, this potential can identify structure-similar proteins with low sequence similarity. This shows that this potential reviews some crucial rules of protein folding. Its applications in protein structure study are discussed. |
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| Keywords: | Protein structure prediCtion Inverse folding Potential of mean force Boltzmann device Polar fraction Sequence-structurealignment |
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