AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility
Copyright policy ) Garrett M. Morris; Ruth Huey; William Lindstrom; Michel F. Sanner; Richard K. Belew; David S. Goodsell; Arthur J. Olson;
AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility
AbstractWe 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. © 2009 Wiley Periodicals, Inc. J Comput Chem, 2009
- University of California, San Diego United States
- Scripps Research Institute United States
Models, Molecular, Proteins, Ligands, Software, Protein Binding
Models, Molecular, Proteins, Ligands, Software, Protein Binding
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selected citations
Citations provided by BIP!
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
Citations provided by BIP!popularityPopularity provided by BIP!
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
Popularity provided by BIP! 22K
Top 0.01%
Top 0.01%
Top 0.01%
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