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

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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.