Molecular Graphics and Computational Chemistry Techniques for Drug Design

  • J. G. Vinter
Part of the Methodological Surveys in Biochemistry and Analysis book series (MSBA, volume 13)


Despite the ever-increasing developments of molecular graphics and computer chemistry, there is a basic level of usage which can provide the molecular scientist with valuable information. Once a ‘user friendly’ computer interface is available, the day-to-day aspects of some of the problems of molecular biology can be investigated. In conjunction with the armoury of methods already available to the drug scientist, the computational techniques are unique in their ability to clarify and focus his mind on the molecular properties that may be relevant.


Molecular Graphic Conformational Space Molecular Scientist Senior Editor Quisqualic Acid 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.


Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.


  1. 1.
    Marshall, G.R., Barry, C.D., Bosshard, H.E., Dammkoehler, R.A. & Dunn, D.A. (1979) in Computer Assisted Drug Design (Olson, E.C.& Christoffersen, R.E., eds.), Am. Chem. Soc. Symp. 122, 205–220.Google Scholar
  2. 2.
    Weinstein, H., Osman, R., Topiol, S. & Green, J.P. (1981) Annals N.Y. Acad. Sci. 367, 434–451.CrossRefGoogle Scholar
  3. 3.
    Dean, P.M. (1982) Trends Pharmacol. Sci. 2, 122–125.CrossRefGoogle Scholar
  4. 4.
    Langridge, R., Ferrin, T.E., Kuntz, I.D. & Connolly, M.L. (1981) Science 211, 661–666.CrossRefGoogle Scholar
  5. 5.
    Humblet, C. & Marshall, G.R. (1981) Drug Devel. Res. 1, 17–23.CrossRefGoogle Scholar
  6. 6.
    Clementi, E. & Corongiu, G.a; Beveridge, D.L., et al.b; Paterson, G.N. & Sheraga, H.A.C; Karplus, M. & Rossky, P.J.d; Levitt, L.e (1979) as for 2.: a83–107; b108–131 ; c132–150; d 151–161 ; e 162-l8l.Google Scholar
  7. 7.
    Morffew, A.J. (1983) J. Mol. Graphics 1, 17–23.CrossRefGoogle Scholar

Copyright information

© Plenum Press, New York 1984

Authors and Affiliations

  • J. G. Vinter
    • 1
    • 2
  1. 1.Langley CourtThe Wellcome Foundation Ltd.Beckenham, KentUK
  2. 2.The FrytheSmith, Kline & French Ltd.Welwyn, HertsUK

Personalised recommendations