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A Coarse-Grained Lattice Model for Molecular Recognition

Hans Behringer·Andreas Degenhard·Friederike Schmid
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Abstract

We present a simple model which allows to investigate equilibrium aspects of molecular recognition between rigid biomolecules on a generic level. Using a two-stage approach, which consists of a design and a testing step, the role of cooperativity and of varying bond strength in molecular recognition is investigated. Cooperativity is found to enhance selectivity. In complexes which require a high binding flexibility a small number of strong bonds seems to be favored compared to a situation with many but weak bonds.

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Hans Behringer, Andreas Degenhard, Friederike Schmid. 2006-08-24. A Coarse-Grained Lattice Model for Molecular Recognition. https://doi.org/10.1103/physrevlett.97.128101

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