研究领域

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Automated protein structure solution

X-ray crystallography is an important tool in the biochemical and biological sciences for the determination of the 3-dimensional atomic structure of biological molecules. This in turn contributes to the understanding of the function of the molecule, its regulation, and its behaviour within a complex biological system. The structure solution process involves a number of stages, starting with the laboratory based step of crystallisation and data collection, followed by a number of computational steps involved in the computation of the final atomic model from the X-ray diffraction pattern, via an intermediate stage of a 3-dimensional electron density map. My particular interests are the application of image processing techniques to reduce the noise level in the electron density maps, followed by automated interpretation of protein electron density map in terms of atomic coordinates. I also work with Dr Paul Emsley in the development of new software to visualise, manipulate and validate atomic models.