From owner-chemistry[ AT ]ccl.net Wed Oct 31 08:35:00 2012 From: "Andreas Klamt klamt!A!cosmologic.de" To: CCL Subject: CCL: (Co)MFA test cases for COSMOsar3D Message-Id: <-47811-121031061036-32652-ZDrWjlNuGbnrwDgijc0iSQ|*|server.ccl.net> X-Original-From: Andreas Klamt Content-Type: multipart/alternative; boundary="------------010901030202000505020208" Date: Wed, 31 Oct 2012 11:10:31 +0100 MIME-Version: 1.0 Sent to CCL by: Andreas Klamt [klamt[#]cosmologic.de] This is a multi-part message in MIME format. --------------010901030202000505020208 Content-Type: text/plain; charset=ISO-8859-15; format=flowed Content-Transfer-Encoding: 8bit Dear CCLers, we are seeking for additional test cases for our COSMOsar3D method, which we recently published in JCIM (*http://pubs.acs.org/doi/abs/10.1021/ci300231t*) Since COSMOsar3D yielded superior results in almost all cases considered by Sutherland, we would like to broaden this experience with additional cases. Hence, if you should have a recently published (Co)MFA study and can provide us with the aligned ligand structures and activity data, then we would be willing to run them though COSMOsar3D and report the resulting. Looking forward to a fruitful collaboration Andreas -- Prof. Dr. Andreas Klamt CEO / Geschäftsführer COSMOlogic GmbH & Co. KG Burscheider Strasse 515 D-51381 Leverkusen, Germany phone +49-2171-731681 fax +49-2171-731689 e-mail klamt(~)cosmologic.de web www.cosmologic.de [University address: Inst. of Physical and Theoretical Chemistry, University of Regensburg] Join us at the 4th-COSMO-RS-Symposium April 2013 Details at www.cosmologic.de/symposium2013 HRA 20653 Amtsgericht Koeln, GF: Prof. Dr. Andreas Klamt Komplementaer: COSMOlogic Verwaltungs GmbH HRB 49501 Amtsgericht Koeln, GF: Prof. Dr. Andreas Klamt --------------010901030202000505020208 Content-Type: text/html; charset=ISO-8859-15 Content-Transfer-Encoding: 8bit Dear CCLers,

we are seeking for additional test cases for our COSMOsar3D method, which we recently published in JCIM (http://pubs.acs.org/doi/abs/10.1021/ci300231t)
Since COSMOsar3D yielded superior results in almost all cases considered by Sutherland, we would like to broaden this experience with additional cases. Hence, if you should have a recently published (Co)MFA study and can provide us with the aligned ligand structures and activity data, then we would be willing to run them though COSMOsar3D and report the resulting.

Looking forward to a fruitful collaboration

Andreas

-- 
Prof. Dr. Andreas Klamt
CEO / Geschäftsführer
COSMOlogic GmbH & Co. KG
Burscheider Strasse 515
D-51381 Leverkusen, Germany

phone  	+49-2171-731681
fax    	+49-2171-731689
e-mail 	klamt(~)cosmologic.de
web    	www.cosmologic.de

[University address:      Inst. of Physical and
Theoretical Chemistry, University of Regensburg]

Join us at the 4th-COSMO-RS-Symposium April 2013
Details at www.cosmologic.de/symposium2013 

HRA 20653 Amtsgericht Koeln, GF: Prof. Dr. Andreas Klamt
Komplementaer: COSMOlogic Verwaltungs GmbH
HRB 49501 Amtsgericht Koeln, GF: Prof. Dr. Andreas Klamt

--------------010901030202000505020208--