Docking performance of the glide program as evaluated on the Astex and DUD datasets: a complete set of glide SP results and selected results for a new scoring function integrating WaterMap and glide
Docking performance of the glide program as evaluated on the Astex and DUD datasets: a complete set of glide SP results and selected results for a new scoring function integrating WaterMap and glide
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DOI：
10.1007/s10822-012-9575-9
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发表时间：
2012-06-01
影响因子：
3.5
通讯作者：
Friesner, Richard A.
中科院分区：
文献类型：
--
作者：
Repasky, Matthew P.;Murphy, Robert B.;Friesner, Richard A.
滑动SP模式富集结果的DUD数据集和天然配体对接RSD的两个制备的Astex数据集的两个制剂。按照最佳实践制备方案，平均RMSD为1.140 a-0.9，早期浓缩上级DUD最佳实践Glide SP结果。
Glide SP mode enrichment results for two preparations of the DUD dataset and native ligand docking RMSDs for two preparations of the Astex dataset are presented. Following a best-practices preparation scheme, an average RMSD of 1.140 a" 0.9 and superior early enrichment to DUD best-practices Glide SP results.