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Accelerating molecular modeling applications with graphics processors
2007
Journal of Computational Chemistry
Molecular mechanics simulations offer a computational approach to study the behavior of biomolecules at atomic detail, but such simulations are limited in size and timescale by the available computing resources. Stateof-the-art graphics processing units (GPUs) can perform over 500 billion arithmetic operations per second, a tremendous computational resource that can now be utilized for general purpose computing as a result of recent advances in GPU hardware and software architecture. In this
doi:10.1002/jcc.20829
pmid:17894371
fatcat:ootoehm6urdijagujoe6kjteo4