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AutoDock

AutoDOCK Other applications Monte Carlo dockiag of ligands to receptors A. Olson at Scripps Institute... [Pg.169]

Li C, Xu L, Wolan DW, Wilson lA, Olson AJ. Virtual screening of human 5-aminoimidazole-4-carboxamide ribonucleotide transformylase against the NCI diversity set by use of AutoDock to identify novel nonfolate inhibitors. J Med Chem 2004 47 6681-90. [Pg.421]

AUTODOCK www.scripps.edu/pub/olson-web/doc/autodock/index.html Morris et al. (1996)... [Pg.301]

Morris GM, Goodsell DS, Halliday RS, Huey R, Hart WE, Belew RK, Olson AJ (1998) J Comput Chem 19 1639. See also http //autodock.scripps.edu/, last visited 8 August 2007... [Pg.54]

Molecular Graphics Laboratory, The Scripps Research Institute, San Diego, CA, US. http //autodock.scripps.edu. [Pg.188]

In the next step, we focused on a possible correlation between the derived AutoDock scoring values and the YETI protein-ligand interaction energies and the observed biological data. In an attempt to correlate the scoring values and... [Pg.236]

Key Words In silico docking AutoDock FlexX GOLD virtual screening automated docking molecular docking. [Pg.63]

Automated docking programs (AutoDock v3.0.5, FlexX, GOLD v2.1)... [Pg.65]

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AutoDock Lamarckian genetic algorithm

AutoDock Monte Carlo simulated annealing

AutoDock flexible ligands

AutoDock protein flexibility

AutoDock tool

Autodock Steps

Autodock VINA

Autodock VINA docking using

Molecular AutoDock

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