Application of Numerical Optimization Methods to Perform Molecular Docking on Graphics Processing Units
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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ژورنال
عنوان ژورنال: Modeling and Analysis of Information Systems
سال: 2014
ISSN: 2313-5417,1818-1015
DOI: 10.18255/1818-1015-2014-5-93-101