Construction of A Sequence- and Backbone-Dependent Rotamer Library by Hidden-Markov Model

摘要：

Sidechain prediction is an important subproblem of protein design and structure prediction. Construction of rotamer library is the basis for protein sidechain prediction because it provides the basic searching space for prediction. However, the state-of-the-art rotamer libraries focus on the statistical information of individual amino acids, ignoring the direct affection of its adjacent amino acids. This article presents a sequence-and backbone-dependent rotamer library. Both the conformation information of adjacent amino acids and torsion angle of the current residue are taken into account to construct a sequence-and backbone-dependent library by HMM. Evaluation on all 13 free modeling targets of CASP8 based on our rotamer library is conducted. Comparing with side-chain prediction based on the state-of-the-art rotamer library, our library outperforms the sidechain prediction accuracy on all the test targets to a certain extent.

作者: Wei Wen Qiang L(u) Peng Yang Lingyun Yang Jinzhen Wu Xu Huang

作者单位: School of Computer Science and Technology Soochow University,Suzhou, China School of Computer Science and Technology Soochow University,Suzhou, China Jiangsu Provincial Key La

会议类型: 国际会议

会议名称: The 4th International Conference on Bioinformatics and Biomedical Engineering(第四届IEEE生物信息与生物医学工程国际会议 iCBBE 2010)

会议地点: 成都

会议语种:英文

页码: 1-4

在线出版日期: 2010-06-18（万方平台首次上网日期，不代表论文的发表时间）