Coarse-grained lattice model for molecular recognition.
We present a simple model which allows us to investigate the 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.
Behringer
Hans
H
Fakultät für Physik, Universität Bielefeld, D-33615 Bielefeld, Germany.
Degenhard
Andreas
A
Schmid
Friederike
F
D001703:Biophysics / Q000379:methods*; D008954:Models, Biological; D008958:Models, Molecular; D015233:Models, Statistical; D008962:Models, Theoretical; D011336:Probability; D011485:Protein Binding; D011506:Proteins / Q000737:chemistry*; D013816:Thermodynamics
D011506:Proteins