The Application of Hückel and Extended Hückel Molecular Orbital Calculations to Biochemical Problems
Professor A. Szent-Györgyi, in writing of his research , said, “...my relations to the various sciences were very promiscuous and made me remain an amateur scientist but a professional poacher”. A similar feeling arises from the complexity of the subject of structure activity analysis which requires the application of knowledge from all fields. In this endeavor, one quickly develops the ability to take the results and observations of other people in an effort to determine what is necessary for a chemical to be an active drug. The process leads to generalizations which, hopefully, will allow the design of better chemicals for specific end uses. One of the first generalizations discovered is that in this sort of study you cannot allow yourself the luxury of becoming too engrossed in any one discipline — you must maintain a proper perspective and attempt to keep all parameters in balance.
KeywordsMolecular Orbital High Occupied Molecular Orbital Trans Isomer Charge Matrix Electronic Index
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- Szent-Györgi, A., p. 64 in Current Aspects of Biochemical Energetics, Academic Press, New York, (1966).Google Scholar
- Pullman B. and Pullman A., Quantum Biochemistry, Wiley (Interscience), New York, (1963).Google Scholar
- Streitweiser, A., Jr., Molecular Orbital Theory for Organic Chemists, Wiley, New York, (1961).Google Scholar
- Chiou, C. Y., Long, J. P., Cannon, J. G., Armstrong, P. D., J. Pharmacol. Exp. Therap., 166, 243, (1969).Google Scholar
- Reeves, R. E., Advan. Carbohydrate Chem., 6, 197, (1951).Google Scholar
- Eliel, E. L., Allinger, N. L., Angyal, S. J., Morrison, G. A., Conformational Analysis, Interscience, New York, (1965).Google Scholar
- Rao, V. S. R., Sundararajan, P. R., Ramakishnan, C., Ramachandran, G. N., p. 721, in Conformation of Biopolymers, 2, (G. N. Ramachandran, Ed.), Academic Press, New York, (1967).Google Scholar
- Boer, F. P., Newton, M. D., Lipscomb, W. N., Biopolymers, 52, 890, (1964).Google Scholar