Symp. on Molecular Design & Modeling

The number of scientists asking if they can participate in the
 "SYMPOSIUM ON MOLECULAR DESIGN AND MODELING" continues to grow.  The
 answer is definitely yes.  Your participation is cordially invited.
 The symposium is being held as part of the Joint Central-Great Lakes
 Regional American Chemical Society Meeting, Wednesday, May 29 - Friday,
 May 31, 1991, at Indiana University-Purdue University at Indianapolis
 (IUPUI), Indianapolis, Indiana.  Registration and housing information is
 being published in the "Chemical and Engineering News" in early April.
 If you would like to present a poster, please send me your abstract on
 an official ACS abstract form.
 Dr. Donald B. Boyd, Chairman
 Lilly Research Laboratories, Eli Lilly and Company, Indianapolis,
 Indiana 46285-1513.  Telephone (317) 276-4232    qsar %-% at %-% indylly
 The program follows.
 --------------------------------------------------------------------
 Wednesday morning, May 29
 Donald B. Boyd  (Eli Lilly & Company),  Presiding.
 Mark G. Bures and J. Erickson,  Discovery of Novel Non-Peptidic
 Inhibitors of HIV-1 Protease by Three-Dimensional Fingerprint Analysis.
 (Abbott Laboratories).
 B. Vernon Cheney and M. W. Schulz,  Models of the Catalytic Mechanism of
 Aspartic Proteinase.  (The Upjohn Company).
 D. Eric Walters, J. Chris Culberson, Darold L. Madigan, and George W.
 Muller, Application of Molecular Modeling to the Design of New
 High-Potency Sweeteners. (The NutraSweet Company).
 Bobby L. Barnett and Cathleen B. Turner,  Free Energy Perturbation
 Technique (FEPT) Applied to Subtilisin BPN' Stability.  (Proctor and
 Gamble Company).
 Wednesday afternoon, May 29
 Max M. Marsh  (Indiana University),  Presiding.
 John M. Stewart, John R. Cann, Michael J. Corey, Karl W. Hahn, and
 Wieslaw A. Klis,  Design and Synthesis of Helizyme Enzymes.  (University
 of Colorado Medical School).
 David G. Gorenstein, Robert Meadows, and Edward Nikonowicz,  Just How
 Accurate Are Structures Derived from NOESY Distance Restrained Molecular
 Dynamics?  The Morass of a Solution.  (Purdue University).
 Kenneth M. Merz, Jr.,  Molecular Design Using Free Energy Perturbation
 Techniques.  (The Pennsylvania State University).
 James P. Sluka, Douglas Johnson, M. Whittler, Allen Kline, J. Pawlak,
 Robert Archer, Richard Justice, and Michael Chaney,  Mechanisms of
 Inhibition of the Peptidyl-Prolyl Isomerase FKbp.  (Eli Lilly &
 Company).
 Carol Beth Post and J. W. Burgner,  Conformational Flexibility of Bound
 Ligands.  (Purdue University).
 Thursday morning, May 30
 Robert B. Hermann  (Eli Lilly & Company),  Presiding.
 Donald B. Boyd and John D. Snoddy,  Lactam Antibiotics and Supercomputer
 Simulations on Their Targets.  (Eli Lilly & Company).
 Konrad F. Koehler, A. F. Gasiecki, S. W. Kramer, R. L. Shone, P. W.
 Collins, H. Tsai, and R. Bianchi,  Construction of Prostaglandin
 Receptor Models and Their Application to the Design of Side Effect Free
 Enisoprost Analogs.  (Searle R&D).
 Kurt Enslein,  Toxicity Prediction by Structure-Activity Relationships.
 (Health Designs).
 Subhash C. Basak and Gerald J. Niemi,  Use of Orthogonal Nonempirical
 Parameters in QSAR.  (University of Minnesota, Duluth).
 Thursday afternoon, May 30
 Matthew Clark (Tripos Associates),  Presiding.
 C. F. Bigge, C. Humblet, G. Johnson, T. Malone, and Daniel F. Ortwine,
 Development of NMDA Agonist and Competitive Antagonist Pharmacophore
 Models.  Design of Novel Antagonists.  (Parke-Davis/Warner-Lambert).
 Ryszard Czerminski, Wieslaw Nowak, Chyung Choi, and Ron Elber,  Reaction
 Path Studies of Conformational Transition in Biological Molecules.
 (University of Illinois at Chicago).
 Michael D. Mullican, Daniel F. Ortwine, David T. Connor, Roderick J.
 Sorenson, and Paul C. Unangst,  Development and Utilization of a
 Pharmacophore Model for Inhibitors of Histamine Release from Anti-IgE
 Stimulated Human Basophils.  (Parke-Davis/Warner-Lambert).
 David J. Heisterberg, Jan K. Labanowski, and Charlie F. Bender,
 Visualization Techniques for Electronic Structure.  (Ohio Supercomputer
 Center).
 Kevin E. Gilbert, J. J. Gajewski, and T. W. Kreek,  Applications of
 PCMODEL in Modeling Organometallics (Indiana University).
 Friday morning, May 31
 Alice Chung-Phillips  (Miami University),  Presiding.
 Alice Chung-Phillips,  Torsional Energy Levels and Wave Functions.
 (Miami University).
 Jan K. Labanowski, Ronald A. Hill, David J. Heisterberg, Duane D.
 Miller, and Jan W. Andzelm,  Hydrogen Bonding and Proton Affinities
 Calculated by Ab Initio and Density Functional Approaches.  (Ohio
 Supercomputer Center).
 Joseph Casanova, Mohammad Shafi'l, and Praveena Devi,  Integrated
 Molecular Modeling,. Pyramidalized Tricyclic Olefins.  (California State
 University, Los Angeles).
 Mark Lipton,  Asymmetric Synthesis of L-Glucose via Macrocyclic
 Conformational Control.  (Purdue University).
 D. B. Boyd, Tools for Quantitative Structure-Activity Relationship
 Analysis: The Substituent Parameter Database and Software for Predicting
 Lipophilicity.  (Eli Lilly & Company).
 James H. Wikel, Michael L. Denney, Ken Kurz, Bradley W. Main, R. A.
 Moore, and Tommy Smith,  QSAR of Dihydropyridines as Slow Calcium
 Channel Blockers.  (Eli Lilly & Company).
 C. M. Venkatachalam, Mary Dygert, and Rudolph Potenzone, Jr.,
 Molecular Similarity: A New Approach to Molecular Superposition.
 (Polygen).
 Jean A. Chmielewski,  Stabilized Helix-Turn-Helix, DNA Binding
 Peptides.  (Purdue University).
 K. Kuhler and M. R. Hoffmann,  A Theoretical Study of Low-Lying States
 of Aminonitrene, Phosphinonitrene, and Phosphinocarbene.  (Notre Dame).
 Jon A. Erickson and Scott D. Kahn,  On the Relative Rates of Thermal Syn
 Eliminations.  (University of Illinois).
 Michael S. Allen, T. J. Hagen,  K. Koehler, and James M. Cook,  COMFA
 Approach to the Benzodiazepine Receptor Inverse Agonist Site.
 (University of Wisconsin, Milwaukee).
 Hernando Diaz-Arauzo, Phil Skolnick, and James M. Cook,  The Agonist
 Pharmacophore of the Benzodiazepine Receptor.  (University of
 Wisconsin, Milwaukee).
 Friday afternoon, May 31
 James T. Metz (Eli Lilly & Company),  Presiding.
 Charles W. Ulmer II and Douglas A. Smith,  Effects of Substituents in
 the 3-Position on the Pentadienyl Cation Electrocyclization.
 (University of Toledo).
 Valentine J. Klimkowski, Paul L. Ornstein, Robert B. Hermann, and Dennis
 M. Zimmerman,  Characterization of the Structural Relationships among
 Various Novel Competitive NMDA Antagonists.  (Eli Lilly & Company).
 Michael O. Chaney, Douglas W. Johnson, and James P. Sluka,  Use of
 Molecular Mechanics to Derive a Structure for the Trans Isomer of the
 Immunosuppressant FK506.  (Eli Lilly & Company).
 R. H. Batt,  Computer Graphics Display of Molecular Orbitals.  (Kenyon
 College).
 Joseph E. Bitar and Douglas A. Smith,  Theoretical Studies of Aromatic
 Nitrenium Ions.  (University of Toledo).
 Charles W. Ulmer II and Douglas A. Smith,  Ab Initio Studies of the
 Nazarov Cyclization:  The Effect of beta Silyl and beta Methyl Groups.
 (University of Toledo).
 S. Vijayakumar and Douglas A. Smith,  Intramolecular Hydrogen Bonding in
 Simple Triamides by Molecular Modeling.  (University of Toledo).
 J. Yang and Ken Lipkowitz,  Modeling the Enantioselective Binding of
 Tryptophan to alpha-Cyclodextrin.  (IUPUI).
 From: BOYD DONALD B                 (MCVAX0::QSAR)
 To:   VMS MAIL ADDRESSEE            (BITNET::"chemistry %-% at %-%
 ccl.net")
 cc:   BOYD DONALD B                 (MCVAX0::QSAR)