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A Uniqueness Theorem of Molecular Recognition

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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.

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Authors and Affiliations

  1. Institute for Advanced Study, Collegium Budapest, Szentháromság u. 2, Budapest, Hungary

    Paul G. Mezey

  2. Mathematical Chemistry Research Unit, Department of Chemistry and Department of Mathematics and Statistics, University of Saskatchewan, Saskatoon, SK, Canada, S7N 5C9

    Paul G. Mezey

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Mezey, P.G. A Uniqueness Theorem of Molecular Recognition. Journal of Mathematical Chemistry 30, 305–313 (2001). https://doi.org/10.1023/A:1015175727727

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