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What is a DOCK Score ?

April 26, 2017dock score

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What is a DOCK Score ?

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DOCK scores are not absolute binding free energies. DOCK scores are approximate binding energies. The level of approximation varies across the scores. http://dock.compbio.ucsf.edu/DOCK_6/dock6_manual.htm#OverviewoftheDOCKSuiteofPrograms describes the calculation of the main basic DOCK scores. http://dock.compbio.ucsf.edu/DOCK_6/dock6_manual.htm#Scoring describes the calculation of all the DOCK scores. These posts elaborate: http://mailman.docking.org/pipermail/dock-fans/2005-February/000035.html http://mailman.docking.org/pipermail/dock-fans/2007-March/000973.html http://mailman.docking.org/pipermail/dock-fans/2007-August/001156.html Here is part of this post: http://mailman.docking.org/pipermail/dock-fans/2005-September/000375.html DOCK and other docking algorithms are designed to rank libraries of molecules with respect to each other. If this is the level of accuracy you need, DOCK should work fine. If you would like to calculate the absolute binding free energy, you will need to mov