Conformational conversion of proteins due to mutationH. Imamura and J. Z. Y. Chen
Department of Physics, University of Waterloo Waterloo, Ontario, Canada N2L 3G1
(Received 27 November 2003; accepted in final form 12 May 2004)
We present a potential-energy model that successfully reproduces the hydrogen bonding effect in proteins and can be used to represent well-defined secondary structures, both -helices and -sheets. We discuss the mechanism of conformational conversion, specifically between an -helix and a -hairpin, caused by sequence perturbation in monomer type. The thermodynamics and kinetics of the model were analyzed by the Monte Carlo simulation technique.
87.15.He - Dynamics and conformational changes.
87.15.Aa - Theory and modeling; computer simulation.
87.15.By - Structure and bonding.
© EDP Sciences 2004