ADL: Missing parameters for the transition metal atoms in AutoDock

Huang Zunnan zunnanh at yahoo.com
Thu Jan 22 16:04:16 PST 2009


Dear all:
 
I plan to perform a virtual screen of a bacteria protein againt the NCI diversity set. I need the energy parameters of the transtion metal atoms in order to generate their grid map file. I donot know how to get the energy parameters accurately for those transiton metal atoms. Any suggestions greatly appreciated!
 
Best Regards
Zunnan H.


      


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