Accelerated molecular mechanical and solvation energetics on multicore CPUs and manycore GPUs

Deukhyun Cha, Qin Zhang, Jesmin Jahan Tithi, Alexander Rand, Rezaul Alam Chowdhury, Chandrajit L. Bajaj. Accelerated molecular mechanical and solvation energetics on multicore CPUs and manycore GPUs. In Proceedings of the 6th ACM Conference on Bioinformatics, Computational Biology and Health Informatics, BCB 2015, Atlanta, GA, USA, September 9-12, 2015. pages 222-231, ACM, 2015. [doi]

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