YUCCA: An efficient algorithm for small-molecule docking

被引：10

作者：

Choi, V ^{[1
]}

机构：

[1] Virginia Tech, Dept Comp Sci, Blacksburg, VA 24061 USA

来源：

CHEMISTRY & BIODIVERSITY | 2005年 / 2卷 / 11期

关键词：

D O I：

10.1002/cbdv.200590123

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

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 131, using the conformer generator OMEGA [15] 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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页码：1517 / 1524

页数：8

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