AMBER: amber 7 for industrial application

From: Jose Gallego <Jose.Gallego.medivir.com>
Date: Mon, 27 Oct 2003 13:18:16 -0000

Hello,
 
I work for a pharmaceutical company and we are considering purchasing AMBER 7. I have been an AMBER user in previous academic posts, and one frequent problem during that time was the required parameterization of small organic molecules into the AMBER force field.
 
I was pleased to see that AMBER 7 contains the ANTECHAMBER module apparently capable of automatically incorporating most small molecules into the AMBER force field.
 
Since the purchase of the program is a significant investment and AMBER does not provide demo versions, I would like to receive opinions from people who have used amber 7 in an industrial (pharmaceutical) environment when one has to test many small organic molecules against a given target. How does the program perform for this type of task?
 
Also, I have read some messages mentioning amber 8. How soon is the new version likely to be released??
 
Thanks!
 
Jose Gallego
 
 
 
 


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Received on Mon Oct 27 2003 - 13:53:01 PST
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