Researcher profile

David S. Goodsell

· Scripps Research Institute

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Publications

1 research record shown

AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility
2009 · Journal of Computational Chemistry · DOI 10.1002/jcc.21256

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.

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Co-authors

Arthur J. Olson

Scripps Research Institute

1 shared publication
Garrett M. Morris

Scripps Research Institute

1 shared publication
Ruth Huey

Scripps Research Institute

1 shared publication
William Lindstrom

Scripps Research Institute

1 shared publication
Michel F. Sanner

Scripps Research Institute

1 shared publication
Richard K. Belew

University of California San Diego

1 shared publication