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" Computer-assisted drug design : "
Edward C. Olson, editor, Ralph E. Christoffersen, editor.
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BL
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599066
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b428285
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| Main Entry
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Symposium on Computer Assisted Drug Design(1979 :, Honolulu, Hawaii)
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| Title & Author
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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 /\ Edward C. Olson, editor, Ralph E. Christoffersen, editor.
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| Publication Statement
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Washington :: American Chemical Society,, 1979.
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| Series Statement
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ACS symposium series,; 112
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xii, 619 p. :: ill. ;; 24 cm.
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| ISBN
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0841205213
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: 9780841205215
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Includes bibliographical references and index.
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| Contents
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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. Götz, 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.
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| Subject
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Pharmaceutical chemistry-- Data processing, Congresses.
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Drugs-- Structure-activity relationships-- Data processing, Congresses.
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Chemistry, Pharmaceutical.
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Computers.
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Models, Structural.
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Structure-Activity Relationship.
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| LC Classification
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RS401.S95 1979
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| Added Entry
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Olson, Edward C.
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Christoffersen, Ralph E.,1937-
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American Chemical Society., Division of Computers in Chemistry.
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American Chemical Society., Division of Medicinal Chemistry.
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ACS/CSJ Chemical Congress(1979 :, Honolulu, Hawaii)
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