Y : An Efficient Algorithm for Small - Molecule Docking
نویسنده
چکیده
In this paper, we present a new algorithm, which is based on an efficient heuristic for local search, for rigid protein ± small-molecule docking.We tested our algorithm, called , on the recent 100-complex benchmark , using the conformer generator OMEGA [15] to generate a set of low-energy conformers. The results showed that is competitive both in terms of algorithm efficiency and docking accuracy.
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تاریخ انتشار 2005