title: iBIOMES: managing and sharing biomolecular simulation data in a distributed environment.
abstract: Biomolecular simulations, which were once batch queue or compute limited, have now become data analysis and management limited. In this paper we introduce a new management system for large biomolecular simulation and computational chemistry data sets. The system can be easily deployed on distributed servers to create a mini-grid at the researcher's site. The system not only offers a simple data deposition mechanism but also a way to register data into the system without moving the data from their original location. Any registered data set can be searched and downloaded using a set of defined metadata for molecular dynamics and quantum mechanics and visualized through a dynamic Web interface.
authors: Department of Biomedical Informatics, University of Utah, Salt Lake City, Utah, United States.
authors: Julien C
authors: JC
authors: Thibault
authors: Julio C
authors: JC
authors: Facelli
authors: Thomas E
authors: TE
authors: Cheatham
mesh_terms: D000465:Algorithms; D019295:Computational Biology / Q000379:methods*; D003198:Computer Simulation; D003199:Computer Systems; D057225:Data Mining; D016208:Databases, Factual; D033181:Information Dissemination; D020407:Internet; D011789:Quantum Theory; D012984:Software; D014584:User-Computer Interface