Abstract
In this work we discuss the benefits of using massively parallel architectures for the optimization of Virtual Screeningmethods.We empirically demonstrate that GPUs are well suited architecture for the acceleration of non-bonded interaction kernels, obtaining up to a 260 times sustained speedup compared to its sequential counterpart version.
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Guerrero, G.D., Pérez-Sánchez, H., Wenzel, W., Cecilia, J.M., García, J.M. (2011). Effective Parallelization of Non-bonded Interactions Kernel for Virtual Screening on GPUs. In: Rocha, M.P., Rodríguez, J.M.C., Fdez-Riverola, F., Valencia, A. (eds) 5th International Conference on Practical Applications of Computational Biology & Bioinformatics (PACBB 2011). Advances in Intelligent and Soft Computing, vol 93. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-19914-1_9
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DOI: https://doi.org/10.1007/978-3-642-19914-1_9
Publisher Name: Springer, Berlin, Heidelberg
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