From chemistry-request:~at~:server.ccl.net Fri Oct 12 00:30:00 2001 Received: from aquarius.ime.eb.br ([200.20.120.44]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id f9C4TwB23355 for ; Fri, 12 Oct 2001 00:29:58 -0400 Received: from epq.ime.eb.br (epq.ime.eb.br [200.20.120.217]) by aquarius.ime.eb.br (8.9.1a/8.9.1) with ESMTP id CAA06054 for ; Fri, 12 Oct 2001 02:11:33 -0200 Received: from EPQ/SpoolDir by epq.ime.eb.br (Mercury 1.48); 12 Oct 01 01:30:54 -0300 Received: from SpoolDir by EPQ (Mercury 1.48); 12 Oct 01 01:30:51 -0300 Received: from usuario (200.222.230.130) by epq.ime.eb.br (Mercury 1.48); 12 Oct 01 01:30:44 -0300 Message-ID: <002301c152ce$7e656780$2d14fea9 # - at - # usuario> From: "Teodorico Ramalho" To: Subject: Energy of AutoDock Date: Fri, 12 Oct 2001 00:32:13 -0300 MIME-Version: 1.0 Content-Type: multipart/alternative; boundary="----=_NextPart_000_0020_01C152B5.56698A40" X-Priority: 3 X-MSMail-Priority: Normal X-Mailer: Microsoft Outlook Express 4.72.3110.5 X-MimeOLE: Produced By Microsoft MimeOLE V4.72.3110.3 This is a multi-part message in MIME format. ------=_NextPart_000_0020_01C152B5.56698A40 Content-Type: text/plain; charset="iso-8859-1" Content-Transfer-Encoding: quoted-printable Dear CCL's, I would like to know in the autodock the obtained energy is the = total energy of the compound (drug-receptor) or it is the interaction = energy between the drug and the receptor (terms of VdW and = eletrostatic). How is the analysis conformational done by the autodock ? = =20 Thanks for your help. Teodorico C. Ramalho ------=_NextPart_000_0020_01C152B5.56698A40 Content-Type: text/html; charset="iso-8859-1" Content-Transfer-Encoding: quoted-printable

Dear CCL's,

I would like to = know in the=20 autodock the obtained energy is the total energy of the compound = (drug-receptor)=20 or it is the interaction energy between the drug and the receptor (terms = of VdW=20 and eletrostatic). How is the analysis conformational done by the = autodock=20 ?

Thanks for your=20 help.

Teodorico C. = Ramalho

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