From chemistry-request@server.ccl.net Fri Feb 23 03:37:40 2001 Received: from gate.syntem-sa.fr (gate.syntem-sa.fr [146.19.248.65]) by server.ccl.net (8.11.0/8.11.0) with ESMTP id f1N8bdw31063 for ; Fri, 23 Feb 2001 03:37:39 -0500 Received: (from uucp@localhost) by gate.syntem-sa.fr (980427.SGI.8.8.8/980728.SGI.AUTOCF) id JAA58191 for <@firewall.syntem-sa.fr:chemistry@ccl.net>; Fri, 23 Feb 2001 09:34:44 +0100 (MET) Received: from syntem-sa.fr(10.0.0.2) by gate.syntem-sa.fr via smap (4.1) id xma058274; Fri, 23 Feb 01 09:34:42 +0100 Received: from victoria.syntem-sa.fr (victoria.syntem-sa.fr [10.0.0.44]) by laetitia.syntem-sa.fr (980427.SGI.8.8.8/980728.SGI.AUTOCF) via ESMTP id JAA04628 for <@laetitia.syntem-sa.fr:chemistry@ccl.net>; Fri, 23 Feb 2001 09:32:09 +0100 (MET) Received: from syntem-sa.fr (localhost [127.0.0.1]) by victoria.syntem-sa.fr (980427.SGI.8.8.8/980728.SGI.AUTOCF) via ESMTP id JAA17565 for ; Fri, 23 Feb 2001 09:37:48 +0100 (MET) Sender: dturner@syntem-sa.fr Message-ID: <3A96215C.9BC1B24@syntem-sa.fr> Date: Fri, 23 Feb 2001 09:37:48 +0100 From: David Turner Reply-To: dturner@syntem.com Organization: Computational Drug Design, Syntem X-Mailer: Mozilla 4.7C-SGI [en] (X11; I; IRIX 6.5 IP32) X-Accept-Language: en MIME-Version: 1.0 To: Computational Chemistry List Subject: Protease Inhibitors Entropy/Enthalpy References: <3A957139.F564083B@yahoo.com> Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit Hi Can anybody point me to an article or articles discussing the relative contributions of entropic and enthalpic terms to the free energy of binding of substrates and/or inhibitors of HIV protease or perhaps in more general terms for aspartic and the various other classes of proteases? Thanks Dave -- ________________________________________________________________ David Turner Synt:em Senior Modeling Scientist Parc Scientifique G.Besse Computational Drug Discovery 30000 Nimes email: dturner@syntem.com France Tel: Switchboard: +33 (0)4 66 04 86 66 Fax: +33 (0)4 66 04 86 67 Direct Line: +33 (0)4 66 04 22 85 ________________________________________________________________ Discover New Drugs, Discover Synt:em http://www.syntem.com ________________________________________________________________