Docking At UTMB

For each selectable protein, the plot shown describes the performance of Autodock Vina against that of other molecular docking software for that protein and it's corresponding small-molecule library in the DUD Database [1]. A discussion of the interpretation of this type of plot is included in the Wyeth Research Paper [2].

[1]
Benchmarking Sets for Molecular Docking
N. Huang, B. K. Shoichet, and John Irwin
J. Med. Chem., 2006, 49(23), pp 6789-6801

[2]
Comparison of Several Molecular Docking Programs: Pose Prediction and Virtual Screening Accuracy
J. B. Cross, D. C. Thompson, B. K. Rai, J. C. Baber, K. Y. Fan, Y. Hu, and C. Humblet
J. Chem. Inf. Model. 2009, 49, 1455-1474

Legend
Line Color Docking Program
Light Blue Autodock Vina
Dark Blue GLIDE HTVS
Orange PhDOCK
Green ICM
Red DOCK
Black Surflex
Purple FlexX
Gray Random Algorithm
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