Template-Based Protein Modeling: Recent Methodological Advances

被引:28
作者
Daga, Pankaj R. [1 ]
Patel, Ronak Y. [1 ]
Doerksen, Robert J. [1 ,2 ]
机构
[1] Univ Mississippi, Dept Med Chem, Sch Pharm, University, MS 38677 USA
[2] Univ Mississippi, Pharmaceut Sci Res Inst, University, MS 38677 USA
基金
美国国家科学基金会;
关键词
Comparative modeling; Fold recognition; Homology modeling; Loop prediction; Quality assessments; Side-chain prediction; SECONDARY STRUCTURE PREDICTION; KNOWLEDGE-BASED PREDICTION; REMOTE HOMOLOGY DETECTION; SIDE-CHAIN CONFORMATIONS; COMBINING GOR-V; FOLD-RECOGNITION; QUALITY ASSESSMENT; MOLECULAR-DYNAMICS; HUMAN PROCARBOXYPEPTIDASE; SOLVENT ACCESSIBILITY;
D O I
10.2174/156802610790232314
中图分类号
R914 [药物化学];
学科分类号
100701 ;
摘要
Protein modeling has been a very challenging problem in drug discovery and computational biology. The latest advances and progress in computational power have helped to solve this problem to a considerable extent; however, predicting accurate three-dimensional structure of proteins has always been and remains a complicated assignment. Of the two common methods of protein structure prediction, template-based modeling has become more popular than ab initio modeling. In this review, we summarize the developments in methodology and of understanding for comparative protein modeling during the last three years, including for homologue search, fold recognition, secondary structure prediction, model building, loop building, side-chain prediction and model quality assessment.
引用
收藏
页码:84 / 94
页数:11
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