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FightAIDS@Home publishes a paper in the Journal of Computational Chemistry
30 Dec 2009   

Summary
In this paper, the authors describe the testing and release of AutoDock4 and the accompanying graphical user interface AutoDockTools.

Paper Title:

"AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility."

Abstract:

We describe the testing and release of AutoDock4 and the accompanying graphical user interface AutoDockTools. AutoDock4 incorporates limited flexibility in the receptor. Several tests are reported here, including a redocking experiment with 188 diverse ligand-protein complexes and a cross-docking experiment using flexible sidechains in 87 HIV protease complexes. We also report its utility in analysis of covalently bound ligands, using both a grid-based docking method and a modification of the flexible sidechain technique.

Access to Paper:

To review the paper, please click here.


 


Project Update , Research Paper