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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.

Original publication

DOI

10.1039/b411352g

Type

Journal article

Journal

Org Biomol Chem

Publication Date

21/11/2004

Volume

2

Pages

3219 - 3221

Keywords

Acetylcholinesterase, Bacterial Outer Membrane Proteins, Binding Sites, Computer Simulation, Databases, Protein, Models, Molecular, Phospholipases, Protein Conformation, Proteins, Software, Structural Homology, Protein, Tetrahydrofolate Dehydrogenase