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学科主题物理化学
Realistic Protein Folding with Next Generation Methodology and Supercomputer
Li GH(李国辉)
会议名称International Symposium on Theoretical and Computational Chemistry – 2010:High Performance Computing Simulations
会议日期2010-12-05
2010-12-05
会议地点中国
页码5/2
部门归属十一室
主办者中国科学院超级计算中心; 哈尔滨理工大学
英文摘要Protein folding is the hot and focus research field in computational biology and HPC. The major factors affect protein folding are interaction energy function, conformational sampling and computer resource. We will address these three factors in our new approach. By combining accurate interaction energy function, which is called MFCC, and the smart sampling technique, named Replica Exchange MD, with supercomputer, we can simulate the folding process of larger size proteins comparing with previous studies. We will implement the newest sampling technique with our technology to make protein folding more realistic.
语种中文
文献类型会议论文
条目标识符http://cas-ir.dicp.ac.cn/handle/321008/114362
专题中国科学院大连化学物理研究所
通讯作者Li GH(李国辉)
推荐引用方式
GB/T 7714
Li GH. Realistic Protein Folding with Next Generation Methodology and Supercomputer[C],2010:5/2.
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