BioSimGrid: towards a worldwide repository for biomolecular simulations.

Journal article

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.

Authors: Tai, K; Murdock, S; Wu, B; Ng, M; Johnston, S

• Publication status: Published
• Journal: Organic and biomolecular chemistry
• Volume: 2
• Issue: 22
• Pages: 3219-3221
• Publication date: 2004-11-01
• DOI: 10.1039/b411352g
• EISSN: 1477-0539
• ISSN: 1477-0520
• Language: English
• Keywords: Models, Molecular; Bacterial Outer Membrane Proteins; Acetylcholinesterase; Computer Simulation; Protein Conformation; Software; Tetrahydrofolate Dehydrogenase; Proteins; Binding Sites; Databases, Protein; Structural Homology, Protein; Phospholipases