Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
6877631 | Journal of Molecular Graphics and Modelling | 2015 | 38 Pages |
Abstract
- Eight docking programs and sixteen scoring functions were examined.
- Fitted, FlexX and GOLDScore outperformed the other programs here.
- Hydrophilic targets such as factor Xa, Cdk2 kinase and Aurora kinase are amenable to current scoring functions.
- Hydrophobic targets such as COX-2 and Pla2g2a represent challenges to scoring functions.
- No program used was effective for all six protein-ligand data sets sampled in this study.
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Authors
Weijun Xu, Andrew J. Lucke, David P. Fairlie,