High-speed protein crystallography

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...

High-pressure protein crystallography and NMR to explore protein conformations.

High-pressure methods for solving protein structures by X-ray crystallography and NMR are maturing. These techniques are beginning to impact our understanding of thermodynamic and structural features that define not only the protein's native conformation, but also the higher free energy conformations. The ability of high-pressure methods to visualize these mostly unexplored conformations provid...

High speed nanofluidic protein accumulator.

Highly efficient preconcentration is a crucial prerequisite to the identification of important protein biomarkers with extremely low abundance in target biofluids. In this work, poly(dimethylsiloxane) microchips integrated with 10 nm polycarbonate nanopore membranes were utilized as high-speed protein accumulators. Double-sided injection control of electrokinetic fluid flow in the sample channe...

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...