AMBER Archive (2005)

Subject: AMBER: Free energy calculation for protein-protein complex using MM_PBSA

From: Zhiguo Liu (zgleo_at_tom.com)
Date: Wed Jun 29 2005 - 20:59:01 CDT

Dear amber users,
    I want to calculate the binding free energy between two domains of a protein kinase. The system is considerably large with one domain consisting of 264 AA and the other consisting of 222 AA. I wonder if mm_pbsa could deal with such task, because in most cases mm_pbsa is used to calculate free energy between one protein and its ligand.
         

             
      
                                                             Zhiguo Liu
                                                   
                                                                  2005-6-30
                                                                      ________________________________________________
                                                                     | |
                                                                     | Ph.D candidate. Zhiguo Liu |
                                                                     | zhiguo.leo_at_gmail.com |
                                                                     | |
                                                                     | DDDC |
                                                                     | Shanghai Institute of Materia Medica |
                                                                     | Chinese Academy of Science |
                                                                     | Shanghai, China |
                                                                     | |
                                                                     |________________________________________________|
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