Toward high-resolution de novo structure prediction for small proteins
Toward high-resolution de novo structure prediction for small proteins
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DOI：
10.1126/science.1113801
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发表时间：
2005-09-16
期刊：
影响因子：
56.9
通讯作者：
Baker, D
中科院分区：
文献类型：
--
作者：
Bradley, P;Misura, KMS;Baker, D
从氨基酸序列预测蛋白质结构是计算分子生物学的一个巨大挑战。通过结合使用改进的低分辨率和高分辨率构象采样方法，改进了原子详细的势函数，捕获蛋白质核心的拼图式包装，以及高性能计算、高分辨率结构预测。
The prediction of protein structure from amino acid sequence is a grand challenge of computational molecular biology. By using a combination of improved low- and high-resolution conformational sampling methods, improved atomically detailed potential functions that capture the jigsaw puzzle-like packing of protein cores, and high-performance computing, high-resolution structure prediction (