North Carolina Symposium on Molecular Modeling: Integration of Theory and Experiment Research Triangle Park, North Carolina U.S.A. October 21 - 23, 1993 Sponsored by North Carolina Section of American Chemical Society BIOSYM Technologies Molecular Design Limited Molecular Simulations, Inc. MCNC North Carolina Biotechnology Center Tripos Associates, Inc. You are invited to participate in the North Carolina Symposium on Molecular Modeling at MCNC, Research Triangle Park, NC, October 21-23, 1993. The scientific program will emphasize the integrated nature of modern chemical, biochemical, and pharmacological research that requires collaborative efforts of both theoretical and experimental scientists. The program will consist of invited lectures, posters, and software and hardware presentations. An informal picnic at Jordan Lake is planned for attendees. CALL FOR POSTERS Participants are invited to submit poster presentations on any topic related to molecular modeling. MCNC will provide 30"x40" posterboard for attendees to mount their materials. One-page abstracts of poster presentations will be included in meeting notes that will be distributed at the symposium. Abstracts must be submitted by October 4. INVITED LECTURES "Accuracy of Structure Determination and Structure Prediction: Interplay of Theory and Experiment" Axel Brunger, Yale University "Correlations vs. Simulations: Choosing the Appropriate Tool" Garland Marshall, Washington University "Monte Carlo and Molecular Dynamics Simulations with OPLS Forcefield" Julian Tirado-Rives, Yale University "Determining Protein Folds by Inverted and Evolutionary Protein Folding Algorithms" David Eisenberg, University of California at Los Angeles "Unlimited Expectations, Limited Applications" Gerald Fasman, Brandeis University "Computational Studies on Peptides and Peptoids (Poly N-Substituted Glycines)" David Spellmeyer, Chiron Corporation "A Combined Quantum Mechanical and Molecular Mechanical Approach for Modeling Chemical Reactions in Solution" Jiali Gao, SUNY at Buffalo "Complexes of HIV Protease with Inhibitors: Modeled and Experimental Structures" Alexander Wlodawer, National Cancer Institute "Site-Directed Drug Design: Methods and Applications" Richard Ogden, Agouron Pharmaceuticals Panel Discussion "Accuracy of Molecular Simulations" Vendors Displays and Demonstrations ORGANIZING COMMITTEE Alexander Tropsha, Chairman, University of North Carolina at Chapel Hill Ken Flurchick, Co-Chairman, MCNC Rebecca McCloskey, Conference Coordinator, MCNC Frank Brown, Glaxo Research Institute Michael Cory, Burroughs Wellcome Co. Jan Hermans, University of North Carolina at Chapel Hill Lee Pedersen, University of North Carolina at Chapel Hill Iosif Vaisman, University of North Carolina at Chapel Hill TRAVEL AND ACCOMMODATIONS MCNC is located in Research Triangle Park, one mile north of I-40 and five miles from Raleigh-Durham International Airport. The symposium hotel is the Holiday Inn in Research Triangle Park. The hotel rates are $72 plus tax per night. Please make your reservation directly with the hotel by calling 919-941-6000. Indicate that the registration is for the ACS Symposium. The hotel registration deadline is October 1. After this deadline, reservations will be accepted depending on availability. REGISTRATION Complete the attached registration form and return with payment by October 10 to MCNC, P.O. Box 12889, Research Triangle Park, NC 27709 Attn: R. G. McCloskey. Only checks and money orders will be accepted (no credit cards). Make checks payable to the ACS Symposium. Payment must be included with registrations. For further technical information, call Alex Tropsha at 919-966-2955 (e-mail tropsha@gibbs.oit.unc.edu) or Ken Flurchick at 919-248-1121 (e-mail kenf@ncsc.org). For administrative information, call Rebecca McCloskey at 919-248-1841 or send e-mail to gebuhr@mcnc.org. REGISTRATION FEES Industrial participants $170 Academia $ 65 Post-doctorates $ 35 Graduate students $ 25 Registration fees include the reception, the picnic dinner at Jordan Lake, two lunches, refreshment breaks, and meeting materials. REGISTRATION FORM Symposium on Molecular Modeling: Integration of Theory and Experiment Registration is limited and will be accepted on a first-come, first-served basis. Make checks payable to the ACS Symposium. Registrations will not be accepted without payment. Send your registration to the following address: MCNC P.O. Box 12889 3021 Cornwallis Road Research Triangle Park, NC 27709 Attn: R. G. McCloskey Name Position/Title Affiliation Address City State, Zip Phone Fax Email __I will be presenting a poster and will require 30"x40" posterboard to mount my presentation. Indicate dietary restrictions ___________________________________________