Output details
11 - Computer Science and Informatics
University of Westminster
Large-scale virtual screening experiments on Windows Azure-based cloud resources
<02> Originality: A novel framework for molecular docking simulation is implemented on Windows Azure-based cloud. Virtual machines are instantiated in the cloud on demand, scaling up simulations according to volume of molecules to be docked and available financial resources. Bioscientists with little computing knowledge are able to execute simulations and visualise results from a high-level user interface.
Significance: Large-scale molecular docking experiments require vast of computing resources. This solution demonstrates feasibility of the novel Azure platform and provides first benchmarking experiments to evaluate suitability of the infrastructure for computation-intensive simulations.
Rigour: The paper describes experiences in implementation within novel cloud environment.