2022 DOCK tutorial 3 with PDBID 1X70
From Rizzo_Lab
Revision as of 17:23, 23 February 2022 by BrockBoysan (talk | contribs) (→Surface Generation & Sphere Selection)
Contents
Introduction
DOCK
System Preparation
Fetching 1X70 Open Chimera: File > Fetch By Id > 1X70
Spheres
Surface Generation
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Generation of the Box and Grid
Generating the box
Generating the grid
Energy Minimization
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Docking & Virtual Screening
Rigid Docking
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Fixed Anchor Docking
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Flexible Docking
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