Fast Docking on Graphics Processing Units via Ray-Casting
نویسندگان
چکیده
منابع مشابه
Fast Docking on Graphics Processing Units via Ray-Casting
Docking Approach using Ray Casting (DARC) is structure-based computational method for carrying out virtual screening by docking small-molecules into protein surface pockets. In a complementary study we find that DARC can be used to identify known inhibitors from large sets of decoy compounds, and can identify new compounds that are active in biochemical assays. Here, we describe our adaptation ...
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Reference [1] L. Greengard and V. Rokhlin, J. Comput. Phys., vol. 73, pp. 325-348, 1987. [2] N. A. Gumerov and R. Duraiswami, J. Comput. Phys., vol. 227, pp. 8290-8313, 2008. [3] A. Boag and E. Michielssen, A. Brandt, IEEE Antennas and Wireless Propagation Letters, vol. 1, pp.142-145, 2002 [4] A. Boag and B. Livshitz, IEEE Trans. on MTT, vol. 54, pp. 3365-3570, 2006. [5] A. Boag, V. Lomakin, an...
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ژورنال
عنوان ژورنال: PLoS ONE
سال: 2013
ISSN: 1932-6203
DOI: 10.1371/journal.pone.0070661