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AutoDock4 and AutoDockTools4: Automated Docking with Selective Receptor Flexibility

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 ex...

Täydet tiedot

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Bibliografiset tiedot
Päätekijät: Morris, Garrett M., Huey, Ruth, Lindstrom, William, Sanner, Michel F., Belew, Richard K., Goodsell, David S., Olson, Arthur J.
Aineistotyyppi: Artigo
Kieli:Inglês
Julkaistu: 2009
Aiheet:
Linkit:https://ncbi.nlm.nih.gov/pmc/articles/PMC2760638/
https://ncbi.nlm.nih.gov/pubmed/19399780
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/jcc.21256
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