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A Uniqueness Theorem of Molecular Recognition |
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| Authors: | Paul G Mezey |
| Institution: | (1) Institute for Advanced Study, Collegium Budapest, Szentháromság u. 2, Budapest, Hungary;(2) Mathematical Chemistry Research Unit, Department of Chemistry and Department of Mathematics and Statistics, University of Saskatchewan, Saskatoon, SK, Canada, S7N 5C9 |
| Abstract: | Phrased in terms of electron density deformations due to molecular interactions, an optimality condition, and the fundamental holographic properties of molecular electron densities, it is shown that molecular recognition is necessarily unique. A simple proof is given and the connections of this result with the Duality Principle of Molecular Recognition and related Selectivity Measures for molecular recognition are discussed. |
| Keywords: | supramolecular holographic electron density theorem uniqueness of molecular interactions molecular recognition molecular reactivity biochemical function and activity |
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