Workshop on Rational Drug Design - Schedule

Thursday-Friday, April 3-4, 1997
Tutorial lectures
David Ferguson, University of Minnesota

Note: these tutorial lectures were not part of the Workshop per se, but all interested parties were invited to attend.

Monday, April 7, 1997
morning - Session chair: Donald G. Truhlar, University of Minnesota
9:00 Overview: Garland Marshall, Washington University
10:00 break
10:30 "Graph Theory": Peter Willett, University of Sheffield
11:30 lunch
afternoon - Session chair: Jeffrey Howe, Pharmacia & Upjohn
1:15 "Molecular Similarity": W. Graham Richards, Oxford University
2:15 break
2:30 Panel Discussion: Chaired by Jeff Howe and Tony Hopfinger
"What are the most important problems in drug design that may be computationally tractable?"
Panelists: Dave Doherty, Minnesota Supercomputer Center, Inc.
Bill Dunn, University of Illinois at Chicago
W. Graham Richards, Oxford University
Doug Rohrer, Pharmacia & Upjohn
4:00 IMA Tea (& More!)
Tuesday, April 8, 1997
morning - Session chair: Rich Dammkoehler, Washington University
9:15 "Conformational Analysis in Solution--Quantum Mechanical Representation": Christopher Cramer
10:15 break
10:45 "Combinatorial Chemistry and Molecular Diversity": Jeff Blaney, Chiron Corporation
11:45 lunch
afternoon - Session chair: Jeff Blaney, Chiron Corporation
2:00 "Binding Energies": Colin McMartin, Ciba-Geigy Corporation
3:00 break
3:30 "Docking": Regine Bohacek, Ariad Pharmaceuticals
Wednesday, April 9, 1997
morning - Session chair: Tim Havel, Harvard Medical School
9:15 "Lattice Models, Protein Folding": Ken Dill, University of California at San Francisco
10:15 break
10:45 "Molecular Dynamics Information Extraction": Dennis Sprous, Wesleyan University
11:45 lunch
afternoon - Session chair: Tony Hopfinger, University of Illinois at Chicago
2:00 "Molecular Dynamics and Simulations": Thomas A. (Tom) Darden, National Institute of Environmental Health Science
3:00 break
3:30 Panel Discussion: Chaired by Jeff Blaney
"What are the new problems that should be addressed in the next ten years?"
Panelists: Gordon Crippen, University of Michigan
Simon Kearsley, Merck
Garland Marshall, Washington University
Phil Portoghese, University of Minnesota
Thursday, April 10, 1997
morning - Session chair: Simon Kearsley, Merck Research
9:15 "Neural Nets": Markus Wagener, SmithKline Beecham
10:15 break
10:45 "Genetic Algorithms and Related Topics": David Rogers, Molecular Simulations Inc.
11:45 lunch
afternoon - Session chair: Jeffrey Howe, Upjohn & Pharmacia
2:00 "Optimization Techniques and Parallel Computing": Brian T. Luke, National Cancer Institute-Frederick Cancer Research and Development Center
3:00 break
3:30 "Cell-Based Methods for Sampling in High-Dimensional Spaces": Jason Rush, Department of Mathematics, University of Washington
evening
6:00 Reception
7:00 Banquet

After dinner speaker:

Ralph Hirschmann of the University of Pennsylvania
"Rational Drug Design and All That. An Evolutionary Process"
Friday, April 11, 1997
morning - Session chair: Tony Hopfinger, University of Illinois at Chicago
9:00 "Deducing Objective Site Models by Mixed Integer Programming": Gordon Crippen, University of Michigan
10:00 "Finding New Function Sites of Proteins Based on Frequency Analysis of Oligopeptides in the genome Data": Hirofumi Doi, Fujitsu Labs Ltd.
10:30 break
11:00 "Scientific Visualization": Mike Pique, The Scripps Research Institute
12:00 adjourn

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Last modified: April 11, 1997 2:54 PM