Dear AMBER
I hope to find anybody worked before on Metalloprotiens.
I am working on simulation of MMP-3 inhibited with Hydroxamate ligand (CH3-C(O)-N(H)-OH).
I would like to enquire about the protonation state of Hydroxamate
inside the protein, when I build the ligand, which state should I use
for the ligand, protonated or not?
I am really confused, and no paper mentioned this issue.
Thanks in advance
Bill
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Received on Wed Aug 19 2009 - 19:58:56 PDT
