From owner-chemistry@ccl.net Tue Jun 26 09:39:00 2007 From: "andras.borosy]=[givaudan.com" To: CCL Subject: CCL: Dock Message-Id: <-34570-070626090032-24961-mm/fmo9iTJYmGhwk2EAIww^server.ccl.net> X-Original-From: andras.borosy|*|givaudan.com Content-Type: multipart/alternative; boundary="=_alternative 00432EA6C1257306_=" Date: Tue, 26 Jun 2007 14:13:47 +0200 MIME-Version: 1.0 Sent to CCL by: andras.borosy-$-givaudan.com This is a multipart message in MIME format. --=_alternative 00432EA6C1257306_= Content-Type: text/plain; charset="ISO-8859-1" Content-Transfer-Encoding: quoted-printable Dear Mr. Kholin, How much slower Quantum docking then scoring function based docking? Regards, Dr. Andr=E1s P=E9ter Borosy Scientific Modelling Expert Fragrance Research Givaudan Schweiz AG - Ueberlandstrasse 138 - CH-8600 - D=FCbendorf -= =20 Switzerland T:+41-44-824 2164 - F:+41-44-8242926 - http://www.givaudan.com "Maxim Kholin maxim.kholin^^^q-pharm.com" =20 Sent by: owner-chemistry-$-ccl.net 26/06/2007 09:32 Please respond to "CCL Subscribers" To "Borosy, Andras " cc 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=20 physics based that gives more accuracy. Max =20 ----- Original Message -----=20 > From: Grace Shen sll513,yahoo.com=20 To: Kholin, Maxim N=20 Sent: Tuesday, June 26, 2007 6:09 AM Subject: CCL: Dock Dear all: =20 I am looking for some references which can give me some instructions or=20 rules on how to do dock manually without using any commercial docking=20 software, such as Glide, Gold, and etc. Your help is highly appreciated! =20 Cheers, =20 Grace Ready for the edge of your seat? Check out tonight's top picks on Yahoo!=20 TV.=20 --=_alternative 00432EA6C1257306_= Content-Type: text/html; charset="ISO-8859-1" Content-Transfer-Encoding: quoted-printable
Dear Mr. Kholin,

How much slower Quantum docking then scoring function bas= ed docking?

Regards,

Dr. Andr=E1s P=E9ter Borosy
Scientific Modelling Expert
Fragrance Research
Givaudan Schweiz AG  -  Ueberlandstrasse 138  -  CH-8600  -  D=FCbendorf  -  Switzerland
T:+41-44-824 2164  -  F:+41-44-8242926    -  http:= //www.givaudan.com



"Maxim Kholin ma= xim.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>
cc
Subject
CCL: Dock





Hello,
You can use now free 1 month  trial version of Quantum docking that can be downloaded at www.q-ph= arm.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 commerci= al docking software, such as Glide, Gold, and etc. Your help is highly appreci= ated!

 

Cheers,

 

Grace


Ready for the edge of your seat? Check out tonight's top picks on Yahoo! TV.

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