Oct 21 2010 Feedback.
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Introduction
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 Graphical Display Tutorial
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 QSAR
 Tutorial - Docking and Virtual Ligand Screening
 VS Examples
 Docking a Markush Generated Library
 Multiple Receptor
 Explicit Group
  Receptor Setup
  Rotate Hydroxyls
  Setup Docking
  Run Docking
  Explicit Docking
 
Index
PrevICM User's Guide
22.20 Explicit Group Docking
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[ Receptor Setup | Rotate Hydroxyls | Setup Docking | Run Docking | Explicit Docking ]

This example demonstrates how to keep certain residues as explicit during grid docking. Hydroxyls of Ser, Thr, and Tyr can be treated explicitly during docking.

NOTE Feature only available in version 3.7-2a or higher

22.20.1 Receptor Setup


22.20.2 Rotate Hydroxyls


22.20.3 Setup Docking


22.20.4 Run Docking


22.20.5 Explicit Docking



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