Difference between revisions of "2022 DOCK tutorial 3 with PDBID 1X70"

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(Surface Generation & Sphere Selection)
(Generation of the Box and Grid)
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=Generation of the Box and Grid=
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==='''Generating the box'''===
  
 
==='''Generating the grid'''===
 
==='''Generating the grid'''===
 
  
 
=Energy Minimization=
 
=Energy Minimization=

Revision as of 17:23, 23 February 2022

Introduction

DOCK

System Preparation

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

Spheres

Surface Generation


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Making The Infamous 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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File:Mpi minimized.png
the image shows

Rescoring Molecules