BioSimGrid: towards a worldwide repository for biomolecular simulations

• Main Authors: Tai, Kaihsu (Author), Murdock, Stuart (Author), Wu, Bing (Author), Ng, Muan Hong (Author), Johnston, Steven (Author), Fangohr, Hans (Author), Cox, Simon J. (Author), Jeffreys, Paul (Author), Essex, Jonathan W. (Author), Sansom, Mark S.P (Author)
• Format: Article
• Language: English
• Published: 2004.
• Subjects: Article
• Online Access: Get fulltext

BioSimGrid is a database for biomolecular simulations, or, a 'Protein Data Bank extended in time' for molecular dynamics trajectories. We describe the implementation details: architecture, data schema, deposition, and analysis modules. We encourage the simulation community to explore BioSimGrid and work towards a common trajectory exchange format.