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

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(Making the box)
(Generating the grid)
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==='''Making the grid'''===
 
==='''Making the grid'''===
 
==='''Generating the grid'''===
 
  
 
=Energy Minimization for the ligand=
 
=Energy Minimization for the ligand=

Revision as of 17:25, 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

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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Rescoring Molecules