From owner-chemistry@ccl.net Sat Feb 23 11:18:00 2013
From: "Denis Kazakiewicz d.kazakiewicz__gmail.com" <owner-chemistry(-)server.ccl.net>
To: CCL
Subject: CCL: From Docking to Enzyme kinetics
Message-Id: <-48293-130223111641-19225-R0uJMP4+b0vJ5UAmDkAhgw(-)server.ccl.net>
X-Original-From: "Denis  Kazakiewicz" <d.kazakiewicz#,#gmail.com>
Date: Sat, 23 Feb 2013 11:16:38 -0500


Sent to CCL by: "Denis  Kazakiewicz" [d.kazakiewicz|,|gmail.com]
Hello

The task is to calculate IC50 for different new inhibitors of enzyme with known Vmax and Km

Is it doable?
Which software is "better" to use?

Best regards
Denis


From owner-chemistry@ccl.net Sat Feb 23 15:56:00 2013
From: "mahnaz gh mahnaz271163!A!yahoo.com" <owner-chemistry||server.ccl.net>
To: CCL
Subject: CCL: how to define symmetry
Message-Id: <-48294-130223155441-7856-V9W5HHUpjRc0RBUzd8pU/A||server.ccl.net>
X-Original-From: "mahnaz  gh" <mahnaz271163-*-yahoo.com>
Date: Sat, 23 Feb 2013 15:54:40 -0500


Sent to CCL by: "mahnaz  gh" [mahnaz271163() yahoo.com]
I'd like to enquire about how I should define a specific symmetry for my molecule (ligand). 
Please help me to know what is the right keyword, my symmetry is C2V.
where should I input the keyword?

mahnaz