عنوان

Computer-assisted drug design :

0841205213

9780841205215

b428285

Computer-assisted drug design :

[Book]

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.

Washington :

American Chemical Society,

1979.

xii, 619 p. :

ill. ;

24 cm.

ACS symposium series,

112

0097-6156 ;

Includes bibliographical references and index.

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.

0

Computer-assisted drug design.

Drugs-- Structure-activity relationships-- Data processing, Congresses.

Pharmaceutical chemistry-- Data processing, Congresses.

Chemistry, Pharmaceutical.

Computers.

Models, Structural.

Structure-Activity Relationship.

Christoffersen, Ralph E.,1937-

Olson, Edward C.

Symposium on Computer Assisted Drug Design(1979 :, Honolulu, Hawaii)

ACS/CSJ Chemical Congress(1979 :, Honolulu, Hawaii)

American Chemical Society., Division of Computers in Chemistry.

American Chemical Society., Division of Medicinal Chemistry.

20140123112134.0

[Book]

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