Molecular recognition in a lattice model: an enumeration study.

Thorsten Bogner; Andreas Degenhard; Friederike Schmid

doi:10.1103/physrevlett.93.268108

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Molecular recognition in a lattice model: an enumeration study.

Thorsten Bogner·Andreas Degenhard·Friederike Schmid

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Abstract

We investigate the mechanisms underlying selective molecular recognition of single heteropolymers at chemically structured planar surfaces. To this end, we study systems with two-letter (HP) lattice heteropolymers by exact enumeration techniques. Selectivity for a particular surface is defined by an adsorption energy criterion. We analyze the distributions of selective sequences and the role of mutations. A particularly important factor for molecular recognition is the small-scale structure on the polymers.

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Binding Sites Computer Simulation Models, Chemical Models, Molecular Protein Binding Protein Conformation Protein Folding Proteins Sequence Alignment Sequence Analysis, Protein Structure-Activity Relationship Surface Properties Journal Article Research Support, Non-U.S. Gov't

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Thorsten Bogner, Andreas Degenhard, Friederike Schmid. 2004-12-22. Molecular recognition in a lattice model: an enumeration study.. https://doi.org/10.1103/physrevlett.93.268108

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