Protein structure prediction: when is it useful?
Protein structure prediction: when is it useful?
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DOI：
10.1016/j.sbi.2009.02.005
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发表时间：
2009-04
影响因子：
6.8
通讯作者：
Zhang, Yang
中科院分区：
文献类型：
--
作者：
Zhang, Yang
计算预测蛋白质分子的三维结构已经证明在生物医学的许多领域有用，从近似的家族分配到精确的药物筛选。然而，近40年来，预测模型的准确性一直由紧密结构模板的可用性决定。最近在改进更接近原生模型的低分辨率模型方面取得了进展；通过结合来自多个结构模板来源的基于知识的信息以及改进基于物理的力场的能量漏斗，这已经成为可能。不幸的是，在检测远程同源模板和预测新的蛋白质结构的技术发展方面没有实质性的进展。
Computationally predicted three-dimensional structure of protein molecules has demonstrated the usefulness in many areas of biomedicine, ranging from approximate family assignments to precise drug screening. For nearly 40 years, however, the accuracy of the predicted models has been dictated by the availability of close structural templates. Progress has recently been achieved in refining low-resolution models closer to the native ones; this has been made possible by combining knowledge-based information from multiple sources of structural templates as well as by improving the energy funnel of physics-based force fields. Unfortunately, there has been no essential progress in the development of techniques for detecting remotely homologous templates and for predicting novel protein structures.
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