关键词: 蛋白质结构预测/
同源建模/
从头预测/
结构优化
English Abstract
Protein structure prediction
Deng Hai-You1,Jia Ya2,
Zhang Yang3
1.College of Science, Huazhong Agricultural University, Wuhan 430070, China;
2.College of Physical Science and Technology, Central China Normal University, Wuhan 430079, China;
3.Department of Computational Medicine and Bioinformatics, University of Michigan, Ann Arbor, MI 45108, USA
Fund Project:Project supported by the National Natural Science Foundation of China (Grant Nos. 11547255, 11474117), the Fundamental Research Funds for the Central Universities, China (Grant No. 2662015BQ045) and the National Institute of General Medical Sciences (GM083107, GM116960).Received Date:22 June 2016
Accepted Date:21 July 2016
Published Online:05 September 2016
Abstract:Predicting 3D structure of proteins from the amino acid sequences is one of the most important unsolved problems in computational biology and biophysics. This review article attempts to introduce the most recent effort and progress on this problem. After a brief introduction of the background and basic concepts involved in protein structure prediction, we went through the specific steps that have been taken by most typical structural modeling approaches, including fold recognition, model initialization, conformational search, model selection, and atomic-level structure refinement. Several representative structure prediction methods were introduced in detail, including those from both template-based modeling and ab initio folding approaches. Finally, we overview the results shown in the community-wide Critical Assessment of protein Structure Prediction (CASP) experiments that have been developed for benchmarking the state of the art of the field.
Keywords: protein structure prediction/
homology modeling/
ab initio prediction/
structure refinement
