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学科主题: 物理化学
题名: Realistic Protein Folding with Next Generation Methodology and Supercomputer
作者: 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
出版日期: 2010-12-05
会议地点: 中国
通讯作者: 李国辉
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
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
内容类型: 会议论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/114362
Appears in Collections:中国科学院大连化学物理研究所_会议论文

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Recommended Citation:
Li GH. Realistic Protein Folding with Next Generation Methodology and Supercomputer[C]. 见:International Symposium on Theoretical and Computational Chemistry – 2010:High Performance Computing Simulations. 中国. 2010-12-05.
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