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Molecular Modeling Conference 1994

Iosif Vaisman vaisman at GIBBS.OIT.UNC.EDU
Wed Sep 14 12:16:51 EST 1994

Molecular Modeling Conference 1994
Fundamentals and Applications for the Pharmaceutical Industry
2-4 October 1994
Brunswick Hilton and Towers, East Brunswick, New Jersey

Molecular Modeling Conference 1994 is organized by Advanstar Communications, 
the publishers of Pharmaceutical Technology, BioPharm, LC-GC, and 
Spectroscopy magazines.

	*  A limited number of discounted registrations are available for 
	*  full-time university students and faculty.

Conference Moderators:  
Alexander MacKerell, Assistant Professor, Department of Pharmaceutical 
	Sciences, University of Maryland at Baltimore
Alexander Tropsha, Assistant Professor, Director, Laboratory for Molecular 
	Modeling, University of North Carolina at Chapel Hill
Herschel J.R. Weintraub, Assistant Director, Medicinal Chemistry, 
	R.W. Johnson Pharmaceutical Research Institute

Sunday, 2 October 1994

Afternoon Session: Optional Introductory Workshop - Molecular Modeling Basics
Instructors:	Warren J. Hehre, Wavefunction, Inc., and University of 
				California, Irvine
		Alexander Tropsha (Session Organizer), University of North 
				Carolina, Chapel Hill
		Herschel J.R. Weintraub, R.W. Johnson Pharmaceutical Research 

Monday, 3 October 1994

Plenary Lecture:  
Molecular Modeling - For Better, For Worse. For Richer, For Poorer.
Peter Goodford, University of Oxford, UK

On the Effect of Long-range Interactions on Protein Structure, 
Specificity, & Ligand Binding Free Energies
Arnie Hagler, Biosym Technologies, Inc.

Modeling Selectivity in Organic Reactions
Warren J. Hehre, Wavefunction, Inc. and University of California, Irvine

General Representation and Solution of the QSAR Problem Based Upon 
Tensor Analysis
A. J. Hopfinger, University of Illinois at Chicago

Rapid Prediction of Binding Energies Using Continuum Methods
Barry Honig, Columbia University

Pharmacophore Determination:  The Critical Decision in Ligand-Based Design
Richard D. Cramer, Tripos, Inc.

Overview of 3D-Searching:  A Powerful Technique for Computer-Assisted 
Molecular Design
Robert S. Pearlman, University of Texas, Austin

Tuesday, 4 October 1994

X-ray Crystallographic Analysis of Macromolecular Structures
Wayne A. Hendrickson, Columbia University

Free Energy Modeling
Monte Pettitt, University of Houston

Multidimensional Heteronuclear NMR of Proteins
Angela M. Gronenborn, NIDDK, National Institutes of Health

Models of G Protein-Linked Receptors:  How Do We Get Them and 
What Can We Do With Them?
Charles Hutchins, Abbott Laboratories

Comparative Homology Modeling:  What Is It Good For and How Well Does It Work?  
Jonathan Greer, Abbott Laboratories

De Novo Predications of Quaternary Protein Structure:  Applications to 
Coiled Coils
Jeffrey Skolnick, Scripps Research Institute

Computer Assisted Ligand Design
I.D. Kuntz, University of California, San Francisco

Retrospective and Prospective Successes of Molecular Modeling in the 
Pharmaceutical Industry
Peter Gund, Molecular Simulations Inc. 

Registration Information
To register or to receive a copy of the conference program brochure, please 
call the Molecular Modeling Conference Registrar at (800) 343-3423 or 
(503) 343-1200.  Fees for Molecular Modeling Conference include all course 
materials, a copy of the conference proceedings, admission to the Technology 
Demonstration Room, the Optional Introductory Workshop, and refreshment breaks.

Regular (postmarked after 19 August 1994):  $645.00
On-Site:  $695.00

For more information, contact:		Molecular Modeling Conference 1994
					859 Willamette Street
					Eugene, OR  97401-6806
					Phone: (800) 343-3423 or (503) 343-1200
					Fax:  (503) 343-7024

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