[Dock-fans] DOCK for an enzyme with cofactor

Mikell Paige map9d at virginia.edu
Tue Oct 11 18:33:14 PDT 2005


I am also interested in docking into a protein with a metal ion in the
active site. I read the paper for using DOCK for P450 enzymes (/J. Med.
Chem.,/ *47* (14), 3572 -3579, 2004). However, I was not sure how to set
up the covDOCK experiment. Is there a separate program that needs to be
downloaded, or another reference I need to read?
Thanks.
Mikell

ying xiong wrote:

>Dear sir,
>     I want to use DOCK to do docking calculation for a protein and ligands. The active site of this protein includes cofactor and metal ion, so they are important and can not be ignored. I wonder whether DOCK program can calculate the energy score of this protein and ligands with high accuracy.
>
>
>¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡ying xiong
>¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡yxiong99 at 163.com
>¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡2005-10-09
>
>
>
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