High-performance computing and Grid applications in high-throughput protein crystallography

HPC and Grid Applications in High Throughput Protein Crystallography

We present details of work being carried out to aid the development of high throughput protein crystallography through the use of high performance computing and Grid technologies. We focus upon the speedup of data collection processes and structure solution, and upon the remote access to high-performance compute resources via the Grid. Rapid feedback regarding the quality of data collected on a...

5 . High Throughput Protein Crystallography

High-throughput protein crystallography and drug discovery.

Single crystal X-ray diffraction is the technique of choice for studying the interactions of small organic molecules with proteins by determining their three-dimensional structures; however the requirement for highly purified protein and lack of process automation have traditionally limited its use in this field. Despite these shortcomings, the use of crystal structures of therapeutically relev...

Applications and developments in grid, cloud, and high performance computing

Topic 16 Applications of High-Performance and Grid Computing

The use of high performance and grid computing has spread rapidly, revolution-ising the ability of scientists and engineers to tackle the challenges they face. Driven by commoditisation and open standards: the widespread availability of parallel computers, large data storage, fast networks, maturing Grid middleware, and distributed service-oriented technologies have led to the development and d...