Yucca: an efficient algorithm for small-molecule docking |
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Authors: | Choi Vicky |
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Institution: | Department of Computer Science, Virginia Tech, 660 McBryde Hall (0106), Blacksburg, VA-24061, USA. vchoi@cs.vt.edu |
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Abstract: | 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 Yucca, on the recent 100-complex benchmark, using the conformer generator OMEGA to generate a set of low-energy conformers. The results showed that Yucca is competitive both in terms of algorithm efficiency and docking accuracy. |
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