ANALYSIS OF IN SITU FRP COMPOSITE FEMORAL COMPONENTS FOR TOTAL HIP ARTHROPLASTY

全髋关节置换术中原位 FRP 复合股骨部件分析

• 批准号: 6221003
• 负责人: ROBERT A LATOUR
• 金额: $ 0.13万
• 依托单位: MELLON PITTS CORPORATION (MPC CORP)
• 依托单位国家: 美国
• 财政年份: 1999
• 资助国家: 美国
• 起止时间: 1999-08-01 至 2000-07-31
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/6221003
• 关键词: biological products; biomedical resource; cardiovascular system; computers

We propose a series of simulations that will take advantage of recently determined structures for Eco RI and Eco RV endonucleases as well as our recently completed preliminary simulation of the DNA-Eco RI complex. Our preliminary simulation of the cognate DNA-Eco RI endonuclease complex employed a 6 A shell of explicit water for a total of approximately 15,000 atoms. We used AMBER 4.0 to simulate the complex for 170 pS and are currently analyzing the trajectory. The specific aims are: (1) extend the preliminary simulation of the native complex from its current curation of 170 pS to a final duration of 500 pS; (2) simulate the apo-protein (in the absence of DNA) for 250 pS using a similar protocol; (3) simulate the cognate DNA-Eco RV complex (4RVE) for 250 pS.

我们提出了一系列模拟，以利用 最近确定了生态RI和Eco RV核酸内切酶的结构 以及我们最近完成的DNA-ECO的初步模拟 RI复合体。 我们对同源DNA-ECO RI的初步模拟 核酸内切酶综合体用6架明确的水壳 总共约15,000个原子。 我们使用琥珀4.0模拟 该综合体为170 PS，目前正在分析轨迹。 具体目的是：（1）扩展了对 本机复合物从目前的170 ps到最后持续时间 500 ps； （2）模拟apo蛋白（在没有DNA的情况下） 250 ps使用类似协议； （3）模拟同源D​​NA-ECO RV 复合物（4rve），持续250 ps。