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Towards a grid-enabled biomolecular simulation database.
| Content Provider | CiteSeerX |
|---|---|
| Author | Wu, Bing Tai, Kaihsu Ng, Muan Hong Johnston, Steven Murdock, Stuart Fangohr, Hans Sansom, Mark S. P. Essex, Jonathan Jeffreys, Paul Cox, Simon |
| Abstract | The overall aim of the BioSimGrid project is to build a distributed data and computing platform to enable large scale analysis of the results of biomolecular simulations. To address the challenges of distributed computing on large amounts of simulation data, we have built an open software framework system based on off-the-shelf middleware, SRB (Storage Resource Broker) and the distributed enterprise database, Oracle 10g. We describe the implementation details: architecture, data distribution, security, and implemented analysis modules. We outline two examples, among many more, where BioSimGrid is a necessary tool. 1. Background Biomolecular simulations enable us to explore the conformational dynamics of complex molecules such as proteins, membranes and nucleic acids. In particular, molecular dynamics (MD) [1] is widely used to investigate nanosecond to microsecond dynamics for a |
| File Format | |
| Access Restriction | Open |
| Content Type | Text |