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Main Title Computer-assisted drug design : based on a symposium sponsored by the Divisions of Computers in Chemistry and Medicinal Chemistry at the ACS/CSJ Chemical Congress, Honolulu, Hawaii, April 2-6, 1979 /
Author Olson, Edward C. ; Christoffersen, Ralph E.
Other Authors
Author Title of a Work
Olson, Edward C.
Christoffersen, Ralph E.
CORP Author American Chemical Society. Division of Computers in Chemistry.; American Chemical Society. Division of Medicinal Chemistry.
Publisher American Chemical Society,
Year Published 1979
OCLC Number 05411204
ISBN 0841205213; 9780841205215
Subjects Pharmaceutical chemistry--Data processing--Congresses. ; Drugs--Structure-activity relationships--Data processing--Congresses. ; Chemistry, Pharmaceutical. ; Computers. ; Models, Structural. ; Pharmacologie. ; Chimie organique. ; Traitement des donnes. ; Congrès. ; Arzneimittel ; Arzneimittelentwicklung ; Chemische Synthese ; Pharmakologie ; Programm ; Struktur-Aktivitäts-Beziehung ; Arzneimittel.--(DE-588)4003115-9 ; Arzneimittelentwicklung.--(DE-588)4143176-5 ; Chemische Synthese.--(DE-588)4133806-6 ; Pharmakologie.--(DE-588)4045687-0 ; Programm.--(DE-588)4047394-6 ; Struktur-Aktivitäts-Beziehung.--(DE-588)4183784-8
Additional Subjects Chemistry, Pharmaceutical--Data processing--Congresses ; Structure-activity relationship (Pharmacology)--Data processing--Congresses
Internet Access
Description Access URL
Library Call Number Additional Info Location Last
ELDM  RS401.S95 1979 CCTE/GLTED Library/Duluth,MN 05/03/2002
Collation xii, 619 pages : illustrations ; 24 cm.
Includes bibliographical references and index.
Contents Notes
Quantum pharmacology : recent progress and current status / Ralph E. Christoffersen -- Parameters and methods in quantitative structure-activity relationships / Roman Osman, Harel Weinstein, and Jack Peter Green -- Molecular mechanics and crystal structure analysis in drug design / David J. Duchamp -- Studies of chemical structure-biological activity relations using pattern recognition / P.C. Jurs, J.T. Chou, and M. Yuan -- Chance factors in QSAR studies / John G. Topliss and Robert P. Edwards -- The design of transition state analogs / P.R. Andrews -- The molecular basis of structure-activity relationships : quantum chemical recognition mechanisms in drug-receptor interactions / Harel Weinstein, Roman Osman, and Jack Peter Green -- Modeling receptor and substrate interactions / Gregory M. Cole, Edgar F. Meyer, Jr., Stanley M. Swanson, and W. Gerald White -- The conformational parameter in drug design : the active analog approach / Garland R. Marshall, C. David Barry, Heinz E. Bosshard, Richard A. Dammkoehler, and Deborah A. Dunn -- Mapping the dopamine receptor : some primary and accessory binding sites / L.G. Humber, A.H. Philipp, F.T. Bruderlein, M. Gèotz, and K. Voith -- Interaction of model opiate anionic receptor sites with characteristic n-substituents of rigid opiates : PCILO and empirical potential energy calculations / Gilda Loew, Stanley Burt, Pamela Nomura, and Robert Macelroy -- Functional receptor mapping for modified cardenolides : use of the PROPHET system / Douglas C. Rohrer, Dwight S. Fullerton, Kouichi Yoshioka, Arthur H.L. From, and Khalil Ahmed -- Thyroid hormones-receptor interactions : binding models from molecular conformation and binding affinity data / Vivian Cody -- Theoretical modeling of enzymic hydrolysis of acetylcholine compared to acetylthiocholine / Joyce H. Corrington -- A new approach to bioactive synthesis / Philip S. Magee -- Syntheses of drugs proposed by a computer program / Malcolm Bersohn -- CAMSEQ/M, a microprocessor-based conformational analysis system / Herschel J.R. Weintraub -- Beyond the 2-D chemical structure / N.C. Cohen -- Conformational analysis : a module in a program for the design of biologically active compounds / A.J. Stuper, T.M. Dyott, and G.S. Zander -- New optimal strategies for ab-initio quantum chemical calculations on large drugs, carcinogens, teratogens, and biomolecules / Joyce J. Kaufman, Herbert E. Popkie, and P.C. Hariharan -- Application of CNDO/2 calculations and X-ray crystallographic analysis to the design of conformationally defined analogs of methamphetamine / Gary L. Grunewald, Mary Weir Creese, and D. Eric Walters -- Configurational analysis, inversion, and reduction of some pyridine carbaldoximes / Rodney Pearlman and Nicholas Bodor -- The analysis of electronic factors in quantitative structure-activity relationships using distribution coefficients / Robert A. Scherrer and Susan M. Howard -- Computer-assisted synthetic analysis : the Merck experience -- P. Gund, E.J.J. Grabowski, G.M. Smith, J.D. Andose, J.B. Rhodes, and W.T. Wipke -- A hierarchal QSAR molecular structure calculator applied to a carcinogenic nitrosamine data base / B. Petit, R. Potenzone, Jr., A.J. Hopfinger, G. Klopman, and M. Shapiro -- Computer-aided selection of novel antitumor drugs for animal screening / Louis Hodes.