From chemistry-request@ccl.net Wed Mar 17 12:44:14 2004 Received: from pickering.cc.nd.edu (pickering.cc.nd.edu [129.74.250.225]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id i2HHiBjs011555 for ; Wed, 17 Mar 2004 12:44:11 -0500 Received: from localhost (localhost [127.0.0.1]) by pickering.cc.nd.edu (Switch-3.1.4/Switch-3.1.0) with ESMTP id i2HHkbCo023324 for ; Wed, 17 Mar 2004 12:46:37 -0500 (EST) Received: from laptop.ccl.net (laptop.ccl.net [129.74.52.62]) by webmail.nd.edu (IMP) with HTTP for ; Wed, 17 Mar 2004 12:46:37 -0500 Message-ID: <1079545597.40588efd299de)at(webmail.nd.edu> Date: Wed, 17 Mar 2004 12:46:37 -0500 From: Jan K Labanowski To: chemistry)at(ccl.net Subject: 03.05.24 CCG User Group Meeting; Montreal, CA MIME-Version: 1.0 Content-Type: text/plain; charset=ISO-8859-1 Content-Transfer-Encoding: 8bit User-Agent: Internet Messaging Program (IMP) 3.2.2 X-Originating-IP: 129.74.52.62 X-ND-MTA-Date: Wed, 17 Mar 2004 12:46:38 -0500 (EST) X-ND-Virus-Scan: engine v4.3.20; dat v4338 X-Spam-Status: No, hits=0.0 required=7.0 tests=none autolearn=no version=2.61 X-Spam-Checker-Version: SpamAssassin 2.61 (1.212.2.1-2003-12-09-exp) on servernd.ccl.net Date: Wed, 17 Mar 2004 09:47:22 -0500 From: Lisa Subissati Chemical Computing Group Inc. is holding the following MOE User Group Meeting and MOE Training Courses in Montreal, Canada the week of May 24, 2004. Registration: If you would like to attend the User Group Meeting, and have not already done so, please email or fax the registration form to: Email: lisas"(at)"chemcomp.com Fax: (514) 874-9538 A copy of the registration form is available in PDF format: http://www.chemcomp.com/Corporate_Information/pdf/registration_form.pdf We also welcome users to present a scheduled talk or poster about using MOE, or to give a MOE software demonstration. If interested, please contact us as soon as possible. The registration fee is $200 USD. Price includes refreshments on Monday May 24, as well as breakfast, lunch and two refreshment breaks on Tuesday May 25. The cost of accommodation is not included in the registration fee. Program: Please take a moment to view the Program for the week. The first two days will be dedicated to talks. Thre remainder of the week will be given over to training courses. http://www.chemcomp.com/Corporate_Information/Agenda.htm Users will give 30-minute talks on assorted topics relating to MOE. Chemical Computing Group scientists will present new features in the latest release of MOE as well as discussing future directions in MOE. Location: The CCG UGM will take place at the Sofitel Montrial. Sofitel Montrial 1155 Sherbrooke Street West Montreal Quebec H3A 2N3 CANADA P: (514) 285-9000 F: (514) 289-1155 Website: http://www.sofitel.com/sofitel/fichehotel/gb/sof/3646/fiche_hotel.shtml Please call the hotel before April 23, 2004 and mention "CCG UGM" to obtain a preferred rate of $195CDN. Sofitel Montrial is located 20km from Dorval Airport. From any direction, follow signs to Centre Ville. The Hotel is located on Sherbrooke Street at the corner of Peel. Training: Wednesday May 26th - Monet Rm. 09:00 - 10:15 Structure-Based Drug Design Course 10:15 - 10:30 Break 10:30 - 12:00 SBDD Course & Feedback on Course Enhancements 12:00 - 13:30 Lunch 13:30 - 15:30 Protein Course 15:30 - 15:45 Break 15:45 - 17:00 Protein Course & Feedback on Course Enhancements Wednesday May 26th - Chagall Rm. 09:00 - 10:15 SVL Introduction Course 10:15 - 10:30 Break 10:30 - 12:00 SVL Introduction Course 12:00 - 13:30 Lunch 13:30 - 15:30 SVL Introduction Course 15:30 - 15:45 Break 15:45 - 17:00 SVL Intro Course & Feedback on Course Enhancements Thursday May 27th - Monet Rm. 09:00 - 10:15 Pharmacophore Course 10:15 - 10:30 Break 10:30 - 12:00 Pharmacophore Course & Feedback on Course Enhancements 12:00 - 13:30 Lunch 13:30 - 15:30 QSAR Course 15:30 - 15:45 Break 15:45 - 17:00 QSAR Course & Feedback on Course Enhancements Thursday May 27th - Chagall Rm. 09:00 - 10:15 SVL Course 10:15 - 10:30 Break 10:30 - 12:00 SVL Course 12:00 - 13:30 Lunch 13:30 - 15:30 SVL Course 15:30 - 15:45 Break 15:45 - 17:00 SVL Course & Feedback on Course Enhancements UGM Dinner The CCG UGM dinner will take place at a restaurant (T.B.A) in historic Old Montreal on May 24th at 19h00. Contact Info: Lisa Subissati Chemical Computing Group Inc. 1010 Sherbrooke Street West, Suite 910 Montreal, Quebec H3A 2R7 CANADA Phone: (514) 393-1055 (ex. 43) Fax: (514) 874-9538 Email: lisas"(at)"chemcomp.com Looking forward to seeing you Montreal! From chemistry-request@ccl.net Wed Mar 17 10:34:11 2004 Received: from aquilon.genodyssee.com ([213.56.212.34]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id i2HFYAjs007951 for ; Wed, 17 Mar 2004 10:34:10 -0500 Received: from snp.genodyssee.com (snp.genodyssee.com [213.56.212.50]) by aquilon.genodyssee.com (8.12.8/8.12.8) with ESMTP id i2HIarOn010597 for ; Wed, 17 Mar 2004 19:36:55 +0100 From: Xavier Gallet Received: (from root@localhost) by snp.genodyssee.com (8.12.6/8.11.6) id i2HFZqUt020020 for chemistry..at..ccl.net; Wed, 17 Mar 2004 16:35:52 +0100 Received: from snp.genodyssee.com (localhost.localdomain [127.0.0.1]) by snp.genodyssee.com (8.12.6/8.11.6) with ESMTP id i2HFZpli019932 for ; Wed, 17 Mar 2004 16:35:51 +0100 Received: (from httpd@localhost) by snp.genodyssee.com (8.12.6/8.12.6/Submit) id i2HFZpEO019931; Wed, 17 Mar 2004 16:35:51 +0100 X-Authentication-Warning: snp.genodyssee.com: httpd set sender to gallet..at..genodyssee.com using -f Received: from router-ext.genodyssee.com ([213.56.212.58]) (SquirrelMail authenticated user gallet) by webmail.genodyssee.com with HTTP; Wed, 17 Mar 2004 16:35:51 +0100 (CET) Message-ID: <2092.213.56.212.58.1079537751.squirrel..at..webmail.genodyssee.com> Date: Wed, 17 Mar 2004 16:35:51 +0100 (CET) Subject: energy of interaction To: chemistry..at..ccl.net User-Agent: SquirrelMail/1.4.0-1 MIME-Version: 1.0 Content-Type: text/plain;charset=iso-8859-1 X-Priority: 3 Importance: Normal X-scanner: scanned by Inflex 1.0.12.3 - (http://pldaniels.com/inflex/) X-Spam-Status: No, hits=0.8 required=7.0 tests=PRIORITY_NO_NAME autolearn=no version=2.61 X-Spam-Checker-Version: SpamAssassin 2.61 (1.212.2.1-2003-12-09-exp) on servernd.ccl.net Dear CCLers, I'm testing a protein-protein docking program with one receptor molecule and several potential ligands. My main filter to remove false-positive solutions concerns mutagenesis data involving several residues both on the receptor and on the ligands. But I'd like to have a view of the energy of interaction for the solutions I selected. Do you know a program that could provide such empirical energy values ? Thank you in advance. Yours sincerely, Xavier Gallet Bioinformatics and IT GenOdyssee SA www.genodyssee.com From chemistry-request@ccl.net Wed Mar 17 13:44:48 2004 Received: from reedbusiness.com (asgatewaynewton.reedbusiness.com [204.164.62.46]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id i2HIiljs014355 for ; Wed, 17 Mar 2004 13:44:47 -0500 Received: from ([10.35.62.186]) by asgatewaynewton.reedbusiness.co with ESMTP ; Wed, 17 Mar 2004 13:46:55 -0500 (EST) Received: by binnewexcp003.reedbusiness.com with Internet Mail Service (5.5.2655.55) id ; Wed, 17 Mar 2004 13:46:54 -0500 Message-ID: From: "Kushner, Michael (RBI-US)" To: "'chemistry-.at.-ccl.net'" Subject: Please post: Editorial Webcast on Computational Modeling Date: Wed, 17 Mar 2004 13:47:26 -0500 MIME-Version: 1.0 X-Mailer: Internet Mail Service (5.5.2655.55) Content-Type: text/plain X-Spam-Status: No, hits=1.0 required=7.0 tests=NO_COST autolearn=no version=2.61 X-Spam-Level: * X-Spam-Checker-Version: SpamAssassin 2.61 (1.212.2.1-2003-12-09-exp) on servernd.ccl.net Hello: The Editor of Scientific Computing magazine is conducting a live eBroadcast, over the web, of an interactive panel presentation and discussion focusing on Enhancing Computational Modeling and Simulation with Itanium Technology. This streaming video and audio webcast will provide an expert panel discussion, case study review and a live Q&A session. Could you please post the listing below so your community may access the event. There is no charge to attend. Best regards, Michael Kushner Scientific Computing & Instrumentation magazine presents a FREE Technology eBroadcast: Enhancing Computational Modeling and Simulation with Itanium Technology Itanium-based technology is one solution major pharmaceutical and life science organizations and institutions are applying to the overall research, discovery and clinical trial process with positive results. This solution offers many potential advantages that will allow you to achieve immediate results including increased stability, efficiency and agility within your IT infrastructure. This interactive event will include an Itanium-based technology overview, an expert panel discussion, a case study review and a live question & answer session. Wednesday, March 31, 2004 2:00 - 3:00 p.m. EST/11:00 - 12:00 p.m. PST www.scimag.com/itaniumtechnology