Development of high-throughput in silico methods for protein structure determination by X-ray crystallography

开发 X 射线晶体学测定蛋白质结构的高通量计算机方法

• 批准号: DP0881848
• 负责人: A/Prof Ashley Buckle
• 金额: $ 16.66万
• 依托单位: Monash University
• 依托单位国家: 澳大利亚
• 项目类别: Discovery Projects
• 财政年份: 2008
• 资助国家: 澳大利亚
• 起止时间: 2008-01-02 至 2010-12-31
• 项目状态: 已结题
• 来源: https://dataportal.arc.gov.au/RGS/Web/Grants/DP0881848
• 关键词: Development; throughput; silico; methods; protein

This work will have major outcomes for structural biology research at a national and international level. The ability to perform MR calculations using an exhaustive set of search models will offer a timesaving of weeks to months in a typical successful structure determination. Further, significant insights will be gained into the use of high-performance GRID computing in protein structure determination by X-ray crystallography. This knowledge has considerable impact on our ability to undertake high quality structural biology research - a key area in the majority of biological research programmes.

这项工作将对国内外结构生物学研究产生重大影响。使用一组详尽的搜索模型执行MR计算的能力将在典型的成功结构确定中节省数周至数月的时间。此外，通过x射线晶体学测定蛋白质结构，将获得使用高性能GRID计算的重要见解。这些知识对我们进行高质量结构生物学研究的能力有相当大的影响-这是大多数生物学研究计划的关键领域。