NCSMM: First Announcement and Call for Papers

vaisman at GIBBS.OIT.UNC.EDU vaisman at GIBBS.OIT.UNC.EDU
Fri Aug 6 13:45:22 EST 1993

North Carolina Symposium on Molecular Modeling:  
Integration of Theory and Experiment

Research Triangle Park, 
North Carolina 
October 21 - 23, 1993

Sponsored by

North Carolina Section of American Chemical Society
BIOSYM Technologies
Molecular Design Limited
Molecular Simulations, Inc.
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.


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.


"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 
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


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


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. 


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 at or Ken Flurchick at
919-248-1121 (e-mail kenf at 
For administrative information, call Rebecca McCloskey at 919-248-1841 or 
send e-mail to gebuhr at 


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.


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:

P.O. Box 12889
3021 Cornwallis Road
Research Triangle Park, NC 27709
Attn: R. G. McCloskey






State, Zip




__I will be presenting a poster and will require 30"x40" posterboard to mount
my presentation.

Indicate dietary restrictions ___________________________________________

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