High throughput protein crystallography and current applications

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...

An e-Science Resource for High Throughput Protein Crystallography

The aim of this project is to make it routine to obtain reliable information on protein structure using X-ray crystallography in a high-throughput mode by introducing easy access to all facilities together with automation where appropriate. This will allow the biologist to concentrate on the scientific questions rather than the technical details. Scientific Background The vast amounts of data c...

X-CHIP: An Integrated Platform for High-Throughput Protein Crystallography