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
Institute
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.
Fees
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
