2022 DOCK tutorial 3 with PDBID 1X70

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Revision as of 15:20, 28 February 2022 by BrockBoysan (talk | contribs) (Spheres)
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Introduction

DOCK

System Preparation

Fetching 1X70 Open Chimera: File > Fetch By Id > 1X70

Spheres

Surface Generation


[[File:1X70_surface.png|thumb|center|800px]The VDW surface for 1X70 that will be used to generate the sphere files.]


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The spheres representing the empty space within the protein.


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Making The Infamous Grid

Making the grid

Energy Minimization for the ligand

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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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