From chemistry-request -x- at -x- server.ccl.net Fri Aug 18 09:17:09 2000 Received: from gollum.med.harvard.edu ([134.174.168.173]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id JAA07487 for ; Fri, 18 Aug 2000 09:17:09 -0400 Received: from hms.harvard.edu (localhost [127.0.0.1]) by gollum.med.harvard.edu (980427.SGI.8.8.8/980728.SGI.AUTOCF) via ESMTP id JAA07615 for ; Fri, 18 Aug 2000 09:15:46 -0300 (EST) Sender: jeremy&$at$&hms.harvard.edu Message-ID: <399D28F2.526ADF20(+ at +)hms.harvard.edu> Date: Fri, 18 Aug 2000 09:15:46 -0300 From: Jeremy Jenkins Organization: Harvard Medical School X-Mailer: Mozilla 4.07C-SGI [en] (X11; I; IRIX64 6.5 IP28) MIME-Version: 1.0 To: chemistry ^at^ ccl.net Subject: AutoDock library screening? Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit Dear AutoDock users: Is it possible to dock a virtual chemical library in .sdf format or any other format using AutoDock? Has anyone done it and are there references? Incidentally, a dumb question: why are binding free energies so high in docking scores compared to protein-protein delta Gs? Jeremy Jenkins Research Fellow Harvard Medical School jeremy_jenkins:~at~:hms.harvard.edu