Implementation of 3D spatial indexing and compression in a large-scale molecular dynamics simulation database for rapid atomic contact detection

BACKGROUND: Molecular dynamics (MD) simulations offer the ability to observe the dynamics and interactions of both whole macromolecules and individual atoms as a function of time. Taken in context with experimental data, atomic interactions from simulation provide insight into the mechanics of prote...

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Detalles Bibliográficos
Autores principales: Toofanny, Rudesh D, Simms, Andrew M, Beck, David AC, Daggett, Valerie
Formato: Online Artículo Texto
Lenguaje:English
Publicado: BioMed Central 2011
Materias:
Methodology Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3166946/
https://www.ncbi.nlm.nih.gov/pubmed/21831299
http://dx.doi.org/10.1186/1471-2105-12-334

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3166946/
https://www.ncbi.nlm.nih.gov/pubmed/21831299
http://dx.doi.org/10.1186/1471-2105-12-334

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