Hello,
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
