Difference between revisions of "2022 DOCK tutorial 3 with PDBID 1X70"
From Rizzo_Lab
BrockBoysan (talk | contribs) (Created page with " Preparing Charged Mol2 for Ligand, Receptor: Step 1: Fetch 1X70 in Chimera") |
BrockBoysan (talk | contribs) |
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| + | = Introduction = | ||
| − | Preparing | + | ===DOCK=== |
| − | + | ||
| − | + | ||
| + | == Ligand Preparation== | ||
| + | '''Preparing Ligand''' | ||
| + | |||
| + | |||
| + | = Surface Generation & Sphere Selection = | ||
| + | |||
| + | '''Surface Generation''' | ||
| + | |||
| + | |||
| + | [[File:placeholder.png|thumb|center|800px]some text] | ||
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| + | '''placeholder 0''' | ||
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| + | [[File:placeholder.png|thumb|center|500px|placeholder text]] | ||
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| + | '''placeholder''' | ||
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| + | =Generation of the Box and Grid= | ||
| + | |||
| + | ==='''Generating the box'''=== | ||
| + | |||
| + | ==='''Generating the grid'''=== | ||
| + | |||
| + | |||
| + | =Energy Minimization= | ||
| + | [[File:placeholder|thumb|center|800px|Placeholder Text]] | ||
| + | |||
| + | =Docking & Virtual Screening= | ||
| + | ===Rigid Docking=== | ||
| + | |||
| + | [[File:placeholder.png|thumb|center|800px| placeholder text]] | ||
| + | |||
| + | ===Fixed Anchor Docking=== | ||
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| + | |||
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| + | [[File:place_holder.png|thumb|center|800px|there is no figure here]] | ||
| + | |||
| + | ===Flexible Docking=== | ||
| + | |||
| + | |||
| + | [[File:.png|thumb|center|800px| placeholder text]] | ||
| + | |||
| + | = Placeholder = | ||
| + | |||
| + | [[File:|thumb|center|800px|image placeholder]] | ||
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| + | =Placeholder= | ||
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| + | =Placeholder= | ||
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| + | [[File:_mpi_minimized.png|thumb|center|800px|the image shows ]] | ||
| + | |||
| + | =Rescoring Molecules= | ||
Revision as of 17:15, 23 February 2022
Contents
Introduction
DOCK
Ligand Preparation
Preparing Ligand
Surface Generation & Sphere Selection
Surface Generation
[[File:placeholder.png|thumb|center|800px]some text]
placeholder 0
File:Placeholder.png
placeholder text
placeholder
Generation of the Box and Grid
Generating the box
Generating the grid
Energy Minimization
File:Placeholder
Placeholder Text
Docking & Virtual Screening
Rigid Docking
File:Placeholder.png
placeholder text
Fixed Anchor Docking
File:Place holder.png
there is no figure here
Flexible Docking
File:.png
placeholder text
Placeholder
[[File:|thumb|center|800px|image placeholder]]
Placeholder
Placeholder
File:Mpi minimized.png
the image shows
