What can I get from docking?

From: Lawrence Tsang <bchlawrence_at_cuhk.edu.hk>
Date: Wed 26 Jul 2000 05:20:09 +0800

I've heard that i can do docking in amber.
My case is docking a hormone (human growth hormone)
with human growth hormone recpetor.
I found in FAQ that this is done using MD /w constraints.
But can I also figure out what is the free energy change
between unbound state and bound state?
Also, for the free energy change calculated, say if
I do the same for 10 mutants and rank their change in
free energy upon binding, can I be sure that the more
-ve in change of free energy binds better to the receptor?
Thank you.

Best wishes,
Lawrence .
Received on Tue Jul 25 2000 - 14:20:09 PDT
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