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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 ca...

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Sonraí Bibleagrafaíochta
Main Authors: Khar, Karen R., Goldschmidt, Lukasz, Karanicolas, John
Formáid: Artigo
Teanga:Inglês
Foilsithe: Public Library of Science 2013
Ábhair:
Rochtain Ar Líne:https://ncbi.nlm.nih.gov/pmc/articles/PMC3745428/
https://ncbi.nlm.nih.gov/pubmed/23976948
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1371/journal.pone.0070661
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