From chemistry-request@server.ccl.net Fri Jul 12 11:04:20 2002
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From: shengcq <shengcq@sina.com>
To: chemistry@ccl.net
Subject: help
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Date: Fri, 12 Jul 2002 22:55:07 +0800
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Hello
  I have been studying the interaction between azole antifungals and P450 cytochrome lanosterol 14α-demethylase using InsightII/docking module.But the parameter of Fe is not available in CVFF forcefield and the coordination between inhibitor and Fe cannot be evaluated in Docking module.Could you give me some suggestion or give me the parameter of Fe in CVFF forcefild? Thank you!
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