DICP OpenIR
Subject Area物理化学
Realistic Protein Folding with Next Generation Methodology and Supercomputer
Li GH(李国辉)
Conference NameInternational Symposium on Theoretical and Computational Chemistry – 2010:High Performance Computing Simulations
Conference Date2010-12-05
2010-12-05
Conference Place中国
Pages5/2
Department十一室
Funding Organization中国科学院超级计算中心; 哈尔滨理工大学
AbstractProtein 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.
Language中文
Document Type会议论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/114362
Collection中国科学院大连化学物理研究所
Corresponding AuthorLi GH(李国辉)
Recommended Citation
GB/T 7714
Li GH. Realistic Protein Folding with Next Generation Methodology and Supercomputer[C],2010:5/2.
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