RADER: a RApid DEcoy Retriever to facilitate decoy based assessment of virtual screening

Abstract

Summary Evaluation of the capacity for separating actives from challenging decoys is a crucial metric of performance related to molecular docking or a virtual screening workflow. The Directory of Useful Decoys (DUD) and its enhanced version (DUD-E) provide a benchmark for molecular docking, although they only contain a limited set of decoys for limited… (More)
DOI: 10.1093/bioinformatics/btw783

Topics

1 Figure or Table

Cite this paper

@article{Wang2017RADERAR, title={RADER: a RApid DEcoy Retriever to facilitate decoy based assessment of virtual screening}, author={Ling Wang and Xiaoqian Pang and Yecheng Li and Ziying Zhang and WenAn Tan}, journal={Bioinformatics}, year={2017}, volume={33 8}, pages={1235-1237} }