计算机工程与应用2017，Vol.53Issue(14)：111-116,154,7.DOI:10.3778/j.issn.1002-8331.1602-0043
面向多肽的分子对接算法性能对比研究
Comprehensive comparative study of protein-peptide docking algorithms perfor-mance
摘要
Abstract
Protein-peptide interaction is prevailing in computational biology, the accurate binding site prediction of protein-peptide is of great importance for understanding signal pathway in vivo, protein functionality and rational drug design. Since computational protein-peptide docking methods can provide sufficient modeling, the performance of them is crucial for experimental accuracy and docking success. In this paper, by reviewing current research progress in protein-peptide docking, it has a comprehensive understanding of protein-peptide docking methods performance, and especially extends the Fully Informed Particle Swarm Dock(FIPSDock)docking method to protein-peptide complexes for test. Experiments are conducted on 21 test cases of standard peptide docking benchmark peptiDB and another custom dataset with 13 cases, to have a comparative comparison of docking accuracy and success rate, the results demonstrate feasibility and novel per-formance of FIPSDock for peptide docking.关键词
多肽对接/蛋白质-多肽间相互作用/结合位点预测/对接优化Key words
peptide docking/protein-peptide interaction/binding site prediction/docking minimization分类
信息技术与安全科学引用本文复制引用
罗浩,刘宇,吴思晋..面向多肽的分子对接算法性能对比研究[J].计算机工程与应用,2017,53(14):111-116,154,7.基金项目
国家自然科学基金委员会与中国民用航空局联合资助项目(No.U1233110) （No.U1233110）
中央高校基本科研业务费(No.DUT13JR01). （No.DUT13JR01）
