DOCK Blaster:Tutorial 3: Difference between revisions

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This is one of the [[DOCK Blaster:Tutorials]].
This is one of the [[DOCK Blaster:Tutorials]].


 
== 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