Developing and analyzing idealized models for molecular recognition

Behringer H, Bogner T, Polotsky A, Degenhard A, Schmid F. Developing and analyzing idealized models for molecular recognition. Journal of Biotechnology. 2007;129(2):268-278.We study equilibrium aspects of molecular recognition of two biomolecules using idealized model systems and methods from statistical physics. Starting from the basic experimental findings we demonstrate exemplarily how an idealized coarse-grained model for the investigation of molecular recognition of two biomolecules can be developed. In addition we provide details regarding two model systems for the recognition of a flexible and a rigid biomolecule respectively, the latter taking into account conformational changes. We focus particularly on the interplay and influence of the correlations of the residue distributions of the biomolecules on the recognition process. (c) 2007 Elsevier B.V. All rights reserved