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 /
| Corporate Authors: | , , , |
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| Other Authors: | , |
| Format: | Conference Proceeding eBook |
| Language: | English |
| Published: |
Washington :
American Chemical Society,
1979.
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| Series: | ACS symposium series ;
112. |
| Subjects: | |
| Online Access: | Connect to the full text of this electronic book |
Table of Contents:
- 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.