Difference between revisions of "DOCK Blaster:Tutorial 3"

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This is one of the [[DOCK Blaster:Tutorials]].
 
This is one of the [[DOCK Blaster:Tutorials]].
  
 
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== DOCK arylsulfonamide to carbonic anhydrase ==
== [[DOCK Blaster:Tutorial 3]] ==
+
This is an example of docking to Zn metalloenzymes.
DOCK to target X, for which only an apo structure is available.
 
Describes both modeling a ligand in, and using protein residues in the binding site to indicate the binding site.
 
An additional difficulty is the lack of diagnostics because of no ligand.
 
  
 
=== Conceptual Overview ===
 
=== Conceptual Overview ===
 
* question 1.
 
* question 1.
 
* question 2.
 
* question 2.
 +
 +
=== Literature References ===
  
 
=== From Theory to Action ===
 
=== From Theory to Action ===
  
 
=== Acquire Sample Data ===
 
=== Acquire Sample Data ===
 
  
 
=== Launch Preliminary Calculation ===
 
=== Launch Preliminary Calculation ===
 +
** step 1
 +
** step 2
 +
** step 3
 +
** step 4
 +
** step 5
  
 
=== Examining the Results ===
 
=== Examining the Results ===

Revision as of 22:18, 18 April 2007

This is one of the DOCK Blaster:Tutorials.

DOCK arylsulfonamide to carbonic anhydrase

This is an example of docking to Zn metalloenzymes.

Conceptual Overview

  • question 1.
  • question 2.

Literature References

From Theory to Action

Acquire Sample Data

Launch Preliminary Calculation

    • step 1
    • step 2
    • step 3
    • step 4
    • step 5

Examining the Results

Docking a Database

Follow up, variations

Possible problems and alterative strategies