Nitin Gupta and Anders Irbäck
Coupled Folding-Binding versus Docking: A Lattice
Model Study
Journal of Chemical Physics 120, 3983-3989
(2004)
Abstract
Using a simple hydrophobic/polar protein model, we perform
a Monte Carlo study of the thermodynamics and kinetics of
binding to a target structure for two closely related
sequences, one of which has a unique folded state while the
other is unstructured. We obtain significant differences in
their binding behavior. The stable sequence has rigid
docking as its preferred binding mode, while the
unstructured chain tends to first attach to the target and
then fold. The free-energy profiles associated with these
two binding modes are compared.
LU TP 03-44
|