From Don_Gregory@MSI.COM Sun Jun 12 12:25:25 1994 Received: from schizoid.msi.com for Don_Gregory@MSI.COM by www.ccl.net (8.6.4/930601.1506) id LAA28175; Sun, 12 Jun 1994 11:50:56 -0400 Received: from msi.com (qmail-gw.msi.com) by schizoid.msi.com (4.1/SMI-4.1) id AA13346; Sun, 12 Jun 94 11:50:27 EDT Message-Id: <9406121550.AA13346@schizoid.msi.com> Date: 12 Jun 1994 11:50:37 +0000 From: "Don Gregory" Subject: Polymorph Prediction Semina To: "OSC BBS" Subject: Time:11:34 AM OFFICE MEMO Polymorph Prediction Seminars Date:6/12/94 Seminar Series Announcement! Announcing a free seminar series for Polymorph Prediction. Polymorphism related problems are commonly encountered in: Pharmaceuticals, Agrochemicals, Pigments, Dyes, Specialty chemicals, Explosives, and other formulation technologies. Today, companies are encountering problems related to polymorphism, while others are exploiting the patent extension opportunities offered by polymorphism. Numerous crucial physico-chemical properties may vary dramatically among polymorphs: product stability, shelf life, vapor pressure, melting point, solubility, bioavailability, morphology, compressibility, density, shock sensitivity, detonation velocity and detonation pressure. During this free half-day seminar series, speakers will present, discuss, and demonstrate C2oPolymorph in the Cerius2 environment, an exciting and innovative technique to predict possible polymorphs of fairly rigid molecules from scratch. This novel Computational Instrument promises to be a break-through in a controversial area. In conjunction with other Cerius2 modules from the C2oCrystal Growth Workbench, C2oPolymorph is an extremely powerful tool to solve polymorphism related problems. Coupling MSI's state-of-the-art modeling environment with the computational speed of Hewlett Packard's PA-RISC 7150 micro-processor, Hewlett Packard and MSI offer a complete solution that is fast, affordable, and easy to use. The series 700 model 735 workstation with the 7150 microprocessor running on 125mhz with performance up to 154MIPS, is ideal for compute intensive and demanding graphics applications. To register for any of the following seminars, call Molecular Simulations Inc. at (617) 229-9800, extension 567 in the U.S. In Europe, call +44 223 413302, extension 31. POLYMORPH PREDICTION SEMINAR SERIES IN EUROPE Monday, 4 July London, England Tuesday, 5 July Brussels, Belgium Wednesday, 6 July Frankfurt, Germany Thursday, 7 July Basel, Switzerland ============ POLYMORPH PREDICTION SEMINAR SERIES IN THE U.S. Tuesday, July 12 Research Triangle Park, NC Wednesday, July 13 Valley Forge, PA Thursday, July 14 Saddle Brook, NJ Friday, July 15 Indianapolis, IN ============ THE AGENDA 8:30am Registration and Continental Breakfast 9:00am "The Commercial Impact of Polymorphism" Dr. Frank J.J. Leusen, MSI 9:30am "The Novel Approach to Polymorph Prediction" Dr. Heinrich R. Karfunkel 10:30am Coffee Break 11:00am "Cerius2 for Polymorph Prediction" Drs. Frank J.J. Leusen and Mark R.S. Pinches 11:30am Cerius2 Product Demonstrations Dr. Mark R.S. Pinches 12:15pm "Industrial Applications of C2oPolymorph" Dr. Stephen J. Maginn 1:00pm Close of Seminar THE SPEAKERS DR. HEINRICH R. KARFUNKEL -- Dr. Karfunkel joined Ciba Geigy in Basel, Switzerland, as group leader of central research molecular modeling in 1986 and is now responsible for the transfer of new computational chemistry techniques to Ciba Geigy world-wide. He studied Chemistry, Biochemistry and Mathematics, and received his Ph.D. in Theoretical Chemistry from Tuebingen University, Germany, where he still lectures. Dr. Karfunkel's current research interests include polymorph prediction, QSPR, materials design, and protein folding. Dr. Mark R.S. Pinches -- Dr. Pinches is a member of the materials science development team and has implemented the innovative C2.Polymorph module in the Cerius2 environment. He received his Ph.D. in Chemical Physics from Southampton University, UK, under the direction of Prof. Tildesley. Before joining Molecular Simulations, Dr. Pinches worked at the Parallel Applications Centre of Southampton University. Dr. Frank J.J. Leusen -- Dr. Leusen is Molecular Simulations' Crystal Growth and Particulate Technology Products Manager. He holds a M.Sc. degree in Pharmacy from Leiden University and a Ph.D. in Chemistry from Nijmegen University, The Netherlands, where he applied molecular modeling to study the crystallization behavior of organic salts. Since 1989, Dr. Leusen has acted as an industrial consultant to Ciba Geigy, Switzerland. Dr. Stephen J. Maginn -- Dr. Maginn joined Molecular Simulations in June 1993 as Senior Applications Scientist after working for ICI/Zeneca's Corporate Crystal Chemistry Team for four years, studying solid state problems throughout the companies' product base. He received his Ph.D. in Chemistry from Liverpool University, UK. To register for any of the following seminars, call Molecular Simulations Inc. at (617) 229-9800, extension 567 in the U.S. In Europe, call +44 223 413302, extension 31. From Don_Gregory@MSI.COM Sun Jun 12 12:40:42 1994 Received: from schizoid.msi.com for Don_Gregory@MSI.COM by www.ccl.net (8.6.4/930601.1506) id MAA28265; Sun, 12 Jun 1994 12:15:19 -0400 Received: from msi.com (qmail-gw.msi.com) by schizoid.msi.com (4.1/SMI-4.1) id AA13403; Sun, 12 Jun 94 12:14:53 EDT Message-Id: <9406121614.AA13403@schizoid.msi.com> Date: 12 Jun 1994 12:18:51 +0000 From: "Don Gregory" Subject: Drug Design Seminar Serius To: "OSC BBS" Subject: Time:10:00 AM OFFICE MEMO Drug Design Seminar Serius Date:6/10/94 Seminar Announcements! Announcing a free scientific seminar series presented by Molecular Simulations Inc. (MSI) and Hewlett Packard. Speakers for this program will discuss innovative scientific methods for structure activity analysis to enable users to increase the efficiency of the lead optimization and lead generation cycle in your organisation.. Topics will include: o Pharmacophore model generation o Database search strategies o Advanced QSAR techniques o Computer-aided compound selection o Molecular similarity o Pseudo-receptor model generation Coupling MSI's state-of-the-art modelling environment with the computational speed of Hewlett Packard's PA-RISC 7150 micro-processor, Hewlett Packard and MSI offer a complete solution that is fast, affordable, and easy to use. The series 700 model 735 workstation with the 7150 microprocessor running on 125mhz with performance up to 154MIPS, is ideal for compute intensive and demanding graphics applications. To register for any of the following seminars, call Molecular Simulations Inc. at (617) 229-9800, extension 567 in the U.S. In Europe, call +44 223 413302, extension 31. MOLECULAR SIMULATIONS INC. AND HEWLETT PACKARD PRESENT: STRATEGIES IN DRUG DISCOVERY SEMINAR SERIES IN THE U.S. Monday, July 18 Cambridge, MA Tuesday, July 19 New Brunswick, NJ Wednesday, July 20 Research Triangle Park, NC Thursday, July 21 La Jolla, CA Friday, July 22 Burlingame, CA (San Francisco Airport area) THE AGENDA 8:00am Registration and Continental Breakfast 8:30am Introduction and Welcome 8:45am Dr. Anthony Hopfinger, University of Illinois "Strategies for the Construction of 3D QSARs Based upon Molecular Shape Analysis" 9:30am Dr. David Rogers, Molecular Simulations Inc. "QSAR Analysis using Genetic Algorithms" 10:15am Product Demonstration 10:30am Coffee Break 10:45am Dr. Peter Sprague, BioCAD Corporation "Structure Activity Analysis with Catalyst: Conversion of Peptide Lead Information into Non-peptide Drug Candidates" 11:30am Dr. Simon Kearsley, Merck Research Laboratories "Computer-Aided Compound Selection Techniques" 12:15pm Product Demonstration ================================= STRATEGIES IN DRUG DISCOVERY SEMINAR SERIES IN EUROPE Tuesday, 28 June Stockholm, Sweden Wednesday, 29 June Paris, France Thursday, 30 June Frankfurt, Germany Friday, 1 July London, England AGENDA 9:30am Registration and Coffee 10:00am Introduction and Welcome 10:15am Dr. Anthony Hopfinger, University of Illinois "Strategies for the Construction of 3D QSARs Based upon Molecular Shape Analysis" 11:00am Dr. David Rogers, Molecular Simulations Inc. "QSAR Analysis using Genetic Algorithms" 11:45pm Product Demonstration 12:00pm Lunch 13:00pm Dr. Peter Sprague, BioCAD Corporation "Structure Activity Analysis with Catalyst: Conversion of Peptide Lead Information into Non-peptide Drug Candidates" 14:00pm Dr. Simon Kearsley, Merck Research Laboratories "Computer-Aided Compound Selection Techniques" 15:00pm Product Demonstration THE SPEAKERS Dr. Anthony Hopfinger - Dr. Hopfinger is Professor of Medicinal Chemistry, Chemistry and Chemical Engineering at the University of Illinois at Chicago. He received his Ph.D. from Case Western Reserve University, and was an NIH post-doctoral fellow at Harvard Medical School. Following post-doctoral studies, Dr. Hopfinger was a member of the faculty at Case Western Reserve University. In 1981 he joined G.D. Searle and Company as Director of Medicinal Chemistry, and in 1985 he took up his current position. Professor Hopfinger has over 185 publications including three books, and is co-founder of three companies focused on computational chemistry software and biotechnology. Dr. Peter W. Sprague - Dr. Sprague was educated (BS, PhD) in synthetic organic chemistry at Case-Western Reserve University and held acadmic positions at Indiana Universityand California State University at San Bernardino. He joined Bristol-Myers Squibb in 1972 and was involved with various medicinal chemistry projects including ACE inhibition and Thromboxane Antagonism until leaving in 1991 to join BioCAD Corporation where he currently holds the position of Vice President for Support. Dr. Simon Kearsley - Dr. Kearsley is currently a Senior Research Fellow at Merck Research Laboratories in charge of developing scientific computing methodology relevant to drug design. He earned his Ph.D. in Physical Chemistry from Cam-bridge University in England working with Professor Thomas. Dr. Kearsley also did post-doctoral work at Yale University with Professors McBride and Prestegard. Dr. David Rogers - Dr. Rogers joined MSI in 1991, and is currently leading the development of several applications based upon Genetic Algorithms. He earned his doctorate work-ing with Professor W. Todd Wipke at UC-Santa Cruz, followed by post-doctoral appointments at the MIT Artificial Intelligence Lab and the University of Michigan Cognitive Science Lab. Dr. Rogers has since published on a wide range of topics, including compu-tational chemistry, neural networks, statistics, brain research, and genetic algorithms. To register for any of the following seminars, call Molecular Simulations Inc. at (617) 229-9800, extension 567 in the U.S. In Europe, call +44 223 413302, extension 31. From NETNEWS@UICVM.CC.UIC.EDU Sun Jun 12 16:25:28 1994 Received: from phem3 for NETNEWS@UICVM.CC.UIC.EDU by www.ccl.net (8.6.4/930601.1506) id PAA02345; Sun, 12 Jun 1994 15:25:41 -0400 Received: from UICVM.CC.UIC.EDU (MAILER@UICVM) by phem3.acs.ohio-state.edu (PMDF V4.2-13 #5888) id <01HDGJWNMXTS8Y54K6@phem3.acs.ohio-state.edu>; Sun, 12 Jun 1994 15:25:25 EDT Received: from UICVM.UIC.EDU (NJE origin NETNEWS@UICVM) by UICVM.CC.UIC.EDU (LMail V1.2a/1.8a) with BSMTP id 8754; Sun, 12 Jun 1994 14:24:51 -0500 Date: Sun, 12 Jun 1994 14:24:41 -0500 (CDT) From: the X-Man Subject: WANTED HP Temperature Station Sender: NETNEWS@UICVM.UIC.EDU To: CHEMISTRY@ccl.net Message-id: <94163.142441U51141@uicvm.uic.edu> Organization: University of Illinois at Chicago, ADN Computer Center Content-transfer-encoding: 7BIT Path: uicvm.uic.edu!u51141 Newsgroups: sci.research,misc.wanted,chi.wanted,bit.listserv.chemistry Lines: 41 To those who can offer assistance: I am in URGENT need to replace the following piece of equipment which I currently use in conducting my research, and which has,since it's original purchase become obsolete by it's manufacturer Hewlett-Packard The following is needed: a Hewlett-Packard 89101A (new model #89101-60001) Temperature Station description: The HP 89101A is an adjustable temperature controlled cuvette holder for standard 1.0 cm cuvettes and flow cells. It is operated in conjunction with an HP 89100A Temperature Controller and the combined unit provides temperature-controlled experimentations to be performed on a Hewlett-Packard 8450A UV/Vis Spectrophotometer. The item sought (HP 89101A or HP 89101-60001) Temperature Station has stirring capabilities, a side access window to accommodate flow cells with side- mounted suction outlets, provisions for gas purging to reduce condensation on the surface of the cuvette, and water cooling for sub-ambient operations *** If anyone receiving this posting can provide me with the actual unit (for purchase), information as to where i might be able to obtain one (as HP has made the entire unit-spectrophotometer, temperature controller, and temperature station obsolete-and thusfar communications with HP have resulted in the company stating that they do have 2 such units available but their asking price has doubled since HP has discontinued this model of device), or can provide me with any information whatsoever, please contact me as soon as possible at the following e-mail address email address: internet: U51141@uicvm.uic.edu bitnet: U51141@uicvm.BITNET Your assistance in this matter is greatly appreciated. Joe Hilario