Parallel Biomolecular Simulation: An Overview and Analysis of Important Algorithms
نویسندگان
چکیده
Molecular Dynamics (MD) delivers dynamical information for large biomolecular systems using enormous CPU-resources. Consequently, several implementations of parallel MD programs have been presented. 1-13 We will analyse the characteristics of MD simulations of real-live biomolecular systems, summarise the serial algorithms tha t have been developed to significantly speed up these simulations and take a look at the fitness of these algorithms for parallelisation.
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