CCL: Dock


Dear Mr. Kholin,

How much slower Quantum docking then scoring function based docking?

Regards,

Dr. András Péter Borosy
Scientific Modelling Expert
Fragrance Research
Givaudan Schweiz AG  -  Ueberlandstrasse 138  -  CH-8600  -  Dübendorf  -  Switzerland
T:+41-44-824 2164  -  F:+41-44-8242926    -  http://www.givaudan.com



"Maxim Kholin maxim.kholin^^^q-pharm.com" <owner-chemistry-$-ccl.net>
Sent by: owner-chemistry-$-ccl.net

26/06/2007 09:32

Please respond to
"CCL Subscribers" <chemistry-$-ccl.net>
To
"Borosy, Andras " <andras.borosy-$-givaudan.com>
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Subject
CCL: Dock





Hello,
You can use now free 1 month  trial version of Quantum docking that can be downloaded at www.q-pharm.com
unlike scoring function based approaches as you mentioned it is pure physics based that gives more accuracy.
Max
 
----- Original Message -----
From: Grace Shen sll513,yahoo.com
To: Kholin, Maxim N
Sent: Tuesday, June 26, 2007 6:09 AM
Subject: CCL: Dock

Dear all:

 

I am looking for some references which can give me some instructions or rules on how to do dock manually without using any commercial docking software, such as Glide, Gold, and etc. Your help is highly appreciated!

 

Cheers,

 

Grace


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