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基于分子动力学和自由能计算研究小分子对HIF-VHL相互作用的抑制机理
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作者 石明松 周鑫 +6 位作者 蔡瑶 李鹏辉 秦登雪 严新蓉 杜孟 李硕 徐定国 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 2021年第6期814-824,I0003,I0079-I0088,共22页
蛋白-蛋白相互作用涉及多种生理过程.其中HIF-VHL作为局部缺血性心脏病的重要靶标得到了学术界和工业界的广泛关注.本文使用分子动力学模拟和结合自由能计算研究pro-like的小分子抑制剂对VHL-HIF的抑制机理.Pro-like抑制剂能够与HIF竞... 蛋白-蛋白相互作用涉及多种生理过程.其中HIF-VHL作为局部缺血性心脏病的重要靶标得到了学术界和工业界的广泛关注.本文使用分子动力学模拟和结合自由能计算研究pro-like的小分子抑制剂对VHL-HIF的抑制机理.Pro-like抑制剂能够与HIF竞争性地结合在VHL蛋白上,从而破坏VHL-HIF相互作用.基于抑制机理给出了pro-like抑制剂的优化策略. 展开更多
关键词 Von hippel lindau蛋白 缺氧诱导因子 抑制剂 分子动力学 自由能
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Comprehensive Evaluation of the Economic Development Level of Guanzhong-Tianshui Economic Zone Using Principal Component Cluster Analysis
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作者 Chunxiang ZHAO xinrong yan Xu GUO 《Asian Agricultural Research》 2014年第2期1-4,8,共5页
Based on 10 years of statistics concerning economic development in Xi'an as the main part of Guanzhong- Tianshui Economic Zone, this article builds the main indicator system to reflect economic development. Using ... Based on 10 years of statistics concerning economic development in Xi'an as the main part of Guanzhong- Tianshui Economic Zone, this article builds the main indicator system to reflect economic development. Using two mathematical methods( principal component analysis and cluster analysis),we carry out comprehensive evaluation analysis of the main economic indicators,point out the distribution differences in the economic development level in this region,and make classification,in order to provide a scientific basis for the decision- making body to lay down the relevant economic development strategies in accordance with the economic development level and geographical location. 展开更多
关键词 REGIONAL ECONOMY Principal COMPONENT ANALYSIS Clus
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Statistical Analysis and Evaluation of the Economic Development in Shaanxi Province
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作者 Xu GUO Chunxiang ZHAO xinrong yan 《Asian Agricultural Research》 2014年第4期24-28,共5页
Based on 8 indicators of economic development and according to the economic situation of cities in Shaanxi Province,this paper analyzes the data using PCA( Principle Component Analysis) and FA( Factor Analysis) with t... Based on 8 indicators of economic development and according to the economic situation of cities in Shaanxi Province,this paper analyzes the data using PCA( Principle Component Analysis) and FA( Factor Analysis) with the help of R software.Using the test of Kendal's W coefficient of concordance,the consistency of results from both methods is tested.Finally,Cluster Analysis is used to classify the results and some advices are proposed for the development of cites in Shaanxi Province. 展开更多
关键词 PRINCIPLE COMPONENT ANALYSIS FACTOR ANALYSIS Kenda
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