From Daniel.Vercauteren@fundp.ac.be Fri Apr 5 05:49:51 1996 Received: from hermes.fundp.ac.be for Daniel.Vercauteren@fundp.ac.be by www.ccl.net (8.7.1/950822.1) id FAA06793; Fri, 5 Apr 1996 05:45:48 -0500 (EST) Received: from telemann.scf.fundp.ac.be by hermes.fundp.ac.be; (5.65v3.2/1.1.8.2/14Dec95-0443PM) id AA27016; Fri, 5 Apr 1996 12:47:47 +0200 Received: from pci-dpv.scf.fundp.ac.be by telemann.scf.fundp.ac.be (AIX 3.2/UCB 5.64/4.03) id AA31881; Fri, 5 Apr 1996 12:44:25 +0200 X-Sender: vercau@telemann.scf.fundp.ac.be Message-Id: Mime-Version: 1.0 Content-Type: text/plain; charset="iso-8859-1" Content-Transfer-Encoding: quoted-printable Date: Fri, 5 Apr 1996 12:48:17 +0100 To: chemistry@www.ccl.net From: Daniel.Vercauteren@fundp.ac.be (Daniel Vercauteren) Subject: Courses on "Fuzzy Sets and Fuzzy Logic in Biosciences" (Belgium) The Soci=E9t=E9 Royale de Chimie and Laboratoire de Physico-Chimie Informatique =46acult=E9s Universitaires Notre-Dame de la Paix, Namur propose in the framework of the "Advanced Lectures in Computational Chemistry and Physics" of the Namur SCF Center a series of specialized lectures on AN INTRODUCTION TO FUZZY SETS AND FUZZY LOGIC WITH APPLICATIONS IN THE CHEMICAL BIOSCIENCES By Dr. Gerald Maggiora Pharmacia & Upjohn, Inc. - Computer-Aided Drug Discovery Kalamazoo, Michigan (USA) Auditorium CH1, rue J.Graf=E9, 2 B-5000 Namur Monday, May 13th, 1996, 15h30-18h00 (including coffee break) Introduction - Brief Overview of classical ("crisp") sets - Fuzzy sets - Geometry of fuzzy sets - Continuous Fuzzy sets - Subsethood and similarity of fuzzy sets - Relating crisp and fuzzy sets: alpha-cuts, alpha-level sets and the Decomposition Theorem - Extension Principle: mapping fuzzy sets to fuzzy sets- Linguistic variables - Fuzzy sets as possibility density functions - Fuzzy numbers: interval and fuzzy arithmetic Tuesday, May 14th, 1996, 15h30-18h00 (including coffee break) =46uzzy clustering - Predicting protein structural classes with fuzzy clustering - Classical ("crisp") relations - Fuzzy relations - Composition of fuzzy relations - Binary fuzzy relations on a single set: similarity and fuzzy equivalence relations Wednesday, May 15th, 1996, 15h30-18h00 (including coffee break) Molecular electron densities as fuzzy sets - Representing chemical functional groups as fuzzy sets - Fuzzy associative memories (FAMs) and fuzzy, rule-based function estimation - Example of FAM-based function estimation - Relating FAM-based function estimation and the Extension Principle - Proposal: Application of a FAM-based energy evaluator to the protein folding problem - Summary and conclusions Informations: Prof. D.P.Vercauteren, Dr. L. Leherte Laboratoire de Physico-Chimie Informatique =46acult=E9s Universitaires Notre-Dame de la Paix Rue de Bruxelles, 61 B-5000 NAMUR T=E9l.: +32-81-724534 -- FAX: +32-81-724530 e-mail: vercau,leherte@scf.fundp.ac.be ---------------------------------------------------------------------------- ------------------ Professor Daniel P. Vercauteren Director of "Laboratoire de Physico Chimie Informatique" =46acult=E9s Universitaires Notre Dame de la Paix Rue de Bruxelles, 61 B - 5000 NAMUR, BELGIUM Tel +32 (0)81 72 45 34 =46ax +32 (0)81 72 45 30 ---------------------------------------------------------------------------- ------------------ From vuckovic@hyper.com Fri Apr 5 10:49:53 1996 Received: from www.hyper.com for vuckovic@hyper.com by www.ccl.net (8.7.1/950822.1) id KAA11173; Fri, 5 Apr 1996 10:08:54 -0500 (EST) Received: (from vuckovic@localhost) by www.hyper.com (8.6.12/8.6.12) id KAA12726 for chemistry@www.ccl.net; Fri, 5 Apr 1996 10:10:00 -0500 From: Dragan Vuckovic Message-Id: <199604051510.KAA12726@www.hyper.com> Subject: Last call for HyperChem Workshop-Germany To: chemistry@www.ccl.net Date: Fri, 5 Apr 1996 10:09:57 -0500 (EST) X-Mailer: ELM [version 2.4 PL24] MIME-Version: 1.0 Content-Type: text/plain; charset=US-ASCII Content-Transfer-Encoding: 7bit There are some more spaces available for HyperChem Workshop on Computational Chemistry, April 24-26, University of Paderborn, Paderborn, Germany. The deadline for early registration has been extended. For more information contact Dr. Heinz Hofmann, Science direct, at 100411.2306@compuserve.com, or vuckovic@hyper.com. ___________________________________________________________________ Dr. Dragan Lj. Vuckovic phone: (519) 725-4040 International Marketing Manager fax: (519) 725-5193 Hypercube, Inc. e-mail: vuckovic@hyper.com 419 Phillip Street URL: http://www.hyper.com Waterloo, Ontario Canada, N2L 3X2 From Wally@CompChem.com Fri Apr 5 12:50:30 1996 Received: from ng.netgate.net for Wally@CompChem.com by www.ccl.net (8.7.1/950822.1) id MAA13580; Fri, 5 Apr 1996 12:01:07 -0500 (EST) Received: from [205.214.160.48] (d16.netgate.net [205.214.160.48]) by ng.netgate.net (8.6.12/8.6.9) with SMTP id JAA06447 for ; Fri, 5 Apr 1996 09:12:20 -0800 X-Sender: wally@ng.netgate.net Message-Id: Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii" Date: Fri, 5 Apr 1996 09:01:07 -0800 To: CHEMISTRY@www.ccl.net From: Wally@CompChem.com (Walter E. Reiher III) Subject: Announcing ORTEP-III I saw this announcement in comp.sys.mac.scitech and thought it would be of general interest here. Home page contains documentation, Mac and PC executables, and FORTRAN source with instructions for building under UNIX/X11: >From: mnb@ornl.gov (Mike Burnett) >Newsgroups: comp.sys.mac.scitech >Subject: Announcing ORTEP-III >Date: 4 Apr 1996 16:50:37 GMT >Organization: Oak Ridge National Lab, Oak Ridge, TN > >ORTEP-III, the Oak Ridge Thermal Ellipsoid Plot Program for Crystal >Structure Illustrations is now available. > >The program, examples, and online documentation are available on the >World Wide Web at > > http://www.ornl.gov/ortep/ortep.html > >The program and examples are also available via anonymous ftp at > > ftp.ornl.gov in /pub/ortep > >We welcome all comments, questions, problems, suggestions, etc. >These should be sent to ortep@ornl.gov > >Mike Burnett and Carroll Johnson >Oak Ridge National Laboratory Wally ======================================================================== Walter E. Reiher III, Ph.D. Wally@CompChem.com CompChem Innovations P.O. Box 61056 voice 408-720-0240 Sunnyvale, CA 94088 fax 408-720-0378 From pachterr@ml.wpafb.af.mil Fri Apr 5 15:49:57 1996 Received: from riker.ml.wpafb.af.mil for pachterr@ml.wpafb.af.mil by www.ccl.net (8.7.1/950822.1) id PAA16117; Fri, 5 Apr 1996 15:02:09 -0500 (EST) Received: from cliff.ml.wpafb.af.mil by riker.ml.wpafb.af.mil (5.65/Ultrix3.0-C) id AA17909; Fri, 5 Apr 1996 15:01:54 -0500 Received: by ml.wpafb.af.mil; id AA08343; Fri, 5 Apr 1996 15:01:53 -0500 Alternate-Recipient: allowed Auto-Forwarded: prohibited Content-Return: allowed Disclose-Recipients: prohibited Conversion: prohibited Importance: normal Priority: normal Sensitivity: Company-Confidential Subject: Final Reminder: Call for Papers From: Ruth Pachter To: chemistry@www.ccl.net Message-Id: <960405150149.673@cliff.ml.wpafb.af.mil.0> Date: Fri, 5 Apr 96 15:01:52 -0500 X-Mailer: MAILworks 1.7-A-1 Final Call for Papers 212th National American Chemical Society Meeting COMP Division August 25-30, 1996, Orlando, Florida GLOBAL ENERGY MINIMIZATION AND PROTEIN FOLDING Abstracts Due April 15, 1996 A symposium entitled "Global Energy Minimization and Protein Folding" will be held at the ACS Meeting in Orlando, Florida, during August 25-30, 1996. Topics will comprise, among others, of algorithms for global optimization, aspects of parallel computing, new methods for the prediction of secondary and tertiary structure, and large scale molecular dynamics and molecular mechanics simulations. A partial list of invited speakers includes: B. Eskow (University of Colorado); C. A. Floudas (Princeton University); R. Judson (Sandia National Laboratories); J. Onuchic (University of California, San Diego); H. A. Scheraga (Cornell University); J. Straub (Boston University); D. Thirumalai (University of Maryland); A. Tropsha (University of North Carolina). Submit Abstracts by April 15 to: Dr. Ruth Pachter Materials Directorate, Wright Laboratory WL/MLPJ, 3005 P St. Suite 1 Wright-Patterson AFB, Ohio 45433-7702 Tel: (513) 255-6671x3158 Fax: (513) 255-1128 E-mail: pachterr@ml.wpafb.af.mil