[gmx-users] Protein-Ligand Docking?

Dallas B. Warren Dallas.Warren at pharm.monash.edu.au
Tue May 12 01:06:29 CEST 2009

First step, define what you mean by being "DOCKed".


Second step, determine if those conditions are meet by your protein and


Catch ya,

Dr. Dallas Warren
Department of Pharmaceutical Biology and Pharmacology
Pharmacy and Pharmaceutical Sciences, Monash University
381 Royal Parade, Parkville VIC 3010
dallas.warren at pharm.monash.edu.au
+61 3 9903 9167
When the only tool you own is a hammer, every problem begins to resemble
a nail. 

From: gmx-users-bounces at gromacs.org
[mailto:gmx-users-bounces at gromacs.org] On Behalf Of Chih-Ying Lin
Sent: Tuesday, 12 May 2009 7:37 AM
To: gmx-users at gromacs.org
Subject: [gmx-users] Protein-Ligand Docking?


When i visualize the MD trajectory, the protein and ligand are closed
But, I don't know if ligand really DOCK on the protein.

Please tell me how to define the successful docking.
Thank you

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