Structure prediction of protein mutants by a novel clash-detection guided iterative search method

摘要：

　　Structure prediction of protein mutants is widely used in protein function analysis,such as hotspot residue prediction,drug resistance mutation screening,protein stability prediction,etc.Here we report a structure based protein mutation modeling software MutCIS.MutCIS is based on a novel clash-detection guided iterative search algorithm,coupled with the continuous optimization of rotamers using a conjugate gradients method.Careful implementation of MutCIS not only achieves a satisfactory speed,but also effectively eliminates side-chain clashes and siguificanfly improves the modeling accuracy.Further benchmark testing shows that compared to the existing popular modeling programs,MutCIS removes atomic clashes more effectively and achieves comparable or even better prediction accuracy.

作者: Cao Yang

作者单位: Life science school, Sichuan University, Chengdu, China

会议类型: 国际会议

会议名称: The 6th International Conference of Molecular Simulations and Applied Informatics Technologies(第六届国际分子模拟与信息技术应用学术会议(ICMS&I))

会议地点: 南京

会议语种:英文

页码: 429-429

在线出版日期: 2012-05-13（万方平台首次上网日期，不代表论文的发表时间）