Stuart E. Murdock

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In computational biomolecular research, large amounts of simulation data are generated to capture the motion of proteins. These massive simulation data can be analysed in a number of ways to reveal the biochemical properties of the proteins. However, the legacy way of storing these data (usually in the laboratory where the simulations have been run) often(More)
The overall aim of the BioSimGrid project ( is to exploit the Grid infrastructure to enable comparative analysis of the distributed results of biomolecular simulations. In particular this paper presents the implementation of the current BioSimGrid Web Portal. The portal has a SOA (Service Oriented Architecture) framework built on the(More)
Contemporary structural biology has an increased emphasis on high-throughput methods. Biomolecular simulations can add value to structural biology via the provision of dynamic information. However, at present there are no agreed measures for the quality of biomolecular simulation data. In this Letter, we suggest suitable measures for the quality assurance(More)
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