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

From Rizzo_Lab
Jump to: navigation, search
(Ligand Preparation)
Line 5: Line 5:
  
  
== Ligand Preparation==
+
== System Preparation==
'''Preparing Ligand'''  
+
'''Fetching 1X70'''
 
+
Open Chimera:
 +
File > Fetch By Id > 1X70
  
 
= Surface Generation & Sphere Selection =  
 
= Surface Generation & Sphere Selection =  

Revision as of 17:22, 23 February 2022

Introduction

DOCK

System Preparation

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

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

Rescoring Molecules