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Accelerating molecular dynamics simulations with configurable circuits

✍ Scribed by Gu, Y.; VanCourt, T.; Herbordt, M.C.

Book ID
114448696
Publisher
The Institution of Electrical Engineers
Year
2006
Tongue
English
Weight
195 KB
Volume
153
Category
Article
ISSN
1350-2387

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## Abstract We describe a complete implementation of all‐atom protein molecular dynamics running entirely on a graphics processing unit (GPU), including all standard force field terms, integration, constraints, and implicit solvent. We discuss the design of our algorithms and important optimization