TCB Publications - Abstract

James C. Phillips and John E. Stone. Probing biomolecular machines with graphics processors. Communications of the ACM, 52:34-41, 2009.

PHIL2009-JS Computer simulation has become an integral part of the study of the structure and function of biological molecules. For years, parallel computers have been used to conduct these computationally demanding simulations and to analyze their results. These simulations function as a computational microscope, allowing the scientist to observe details of molecular processes too small, fast, or delicate to capture with traditional instruments. Over time, commodity GPUs (graphics processing units) have evolved into massively parallel computing devices, and more recently it has become possible to program them in dialects of the popular C/C++ programming languages.


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