From mcblimts@leonis.nus.sg Sat Sep 30 03:21:05 1995 Received: from sable.nus.sg for mcblimts@leonis.nus.sg by www.ccl.net (8.6.10/950822.1) id DAA28558; Sat, 30 Sep 1995 03:12:38 -0400 Received: from leonis.nus.sg (mcblimts@leonis.nus.sg [137.132.1.18]) by sable.nus.sg (8.6.10/8.6.9) with ESMTP id PAA05107; Sat, 30 Sep 1995 15:08:26 +0800 Received: (from mcblimts@localhost) by leonis.nus.sg (8.6.10/8.6.9/CNS-3.5) id PAA15080; Sat, 30 Sep 1995 15:08:25 +0800 Date: Sat, 30 Sep 1995 15:08:25 +0800 (SST) From: Lim Teck Sin To: ccl cc: tshehla@hoopoe.und.ac.za Subject: summary on flexible docking - partII Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Hi everyone There are only 2 additional postings on software that perform flexible docking.(please see summary below) Best regards - teck sin ------------------Start of summary------------------------------- Date: Tue, 12 Sep 1995 09:00:45 +0300 From: "Andreas P. Heiner" To: mcblimts@leonis.nus.sg Subject: soft docking Dear dr. Sin, you may want to test the SCULPT-package, which in a way is interactive flexible docking. For academics relatively cheap (<$USD 2000), you can obtain a demo-version of it via WWW at http://www.intsim.com/~isigen. If you get other more info, I would be pleased to stay informed. Sincerely, Andrepeter Heiner ================================================================= | Andreas P. Heiner | voice : +358-0-456 5105 | | VTT/Biotechnology and | fax : +358-0-455 2103 | | Food Research | e-mail: andrepeter.heiner@vtt.fi | | Biologinkuja 1, Espoo | | | FIN-02044 VTT Finland | | ================================================================= -------------------------------------------------------------------- Date: Sat, 16 Sep 1995 19:30:41 -0400 From: "Wayne C. Guida" To: mcblimts@leonis.nus.sg Cc: wcg@ussu.Ciba.Com Subject: flexible docking Dear Teck-sin: We have used the BatchMin program (available from Columbia University - Clark Still's group) for flexible conformational searches in enzyme binding sites and full flexible docking (positional and conformational sampling) as well. A pointer to our work appears in a review we have written for Current Opinion in Structural Biology: "Software for Structure-based Drug Design", W. C. Guida, Current Opinion in Structural Biology, 1994, 777-781. -Wayne C. Guida ========================================================================= Wayne C. Guida Pharmaceuticals Division Ciba 556 Morris Ave. Summit, New Jersey 07901 Phone: 908-277-7954 FAX: 908-277-2405 Internet: wcg@ussu.ciba.com ========================================================================= ----------------------------------------------------end of summary--------