Molecular Orbital Study of Hapten–Antibody Interactions |
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| Authors: | R R C NEW W G RICHARDS |
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| Institution: | 1.Physical Chemistry Laboratory,University of Oxford,Oxford |
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| Abstract: | THERE is considerable interest in the application of quantum chemical calculations to pharmacology1. Quantum mechanical methods can be used to compute submolecular properties, such as charge distribution in a molecule. For a series of compounds eliciting the same type of response a correlation is sought between activity and some function of computed parameters. |
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