From chemistry-request@server.ccl.net Mon Mar 24 13:00:37 2003 Received: from bureau6.utcc.utoronto.ca ([128.100.132.16]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id h2OI0br31538 for ; Mon, 24 Mar 2003 13:00:37 -0500 Received: from mditdell.mdit.utoronto.ca ([128.100.251.12] HELO MditDell ident: IDENT-NOT-QUERIED [port 1166]) by bureau6.utcc.utoronto.ca with SMTP id <238444-8250>; Mon, 24 Mar 2003 13:00:22 -0500 From: "William Wei" To: "Amber List" , "CCLers" Subject: Protein-Inhibitor binding afinity Date: Mon, 24 Mar 2003 13:02:04 -0500 Message-ID: MIME-Version: 1.0 Content-Type: text/plain; charset="iso-8859-1" Content-Transfer-Encoding: 7bit X-Priority: 3 (Normal) X-MSMail-Priority: Normal X-Mailer: Microsoft Outlook IMO, Build 9.0.2416 (9.0.2910.0) Importance: Normal X-MimeOLE: Produced By Microsoft MimeOLE V6.00.2600.0000 Hi , I want to calculate the binding affinity of protein complex with inhibitors. Could anyone give me some suggestion? Except molecular dynamics simulation in amber, what other software is good at it? Or some reference. Thanks. Have a good day, William ------------------------- William Wei Faculty of Pharmacy 19 Russell Street Toronto, ON. M5S 2S2 Tel: 1-416-946-8469 Fax: 1-416-978-8511 Email: william@phm.utoronto.ca william.wei@utoronto.ca