AMBER Archive (2009)
Subject: [AMBER] Metalloproteins - Ligand Protonation
From: s. Bill (s_bill36_at_yahoo.co.uk)
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
I am really confused, and no paper mentioned this issue.
Thanks in advance