A theoretical study on nonnative contacts in protein folding by a modified HP model

Abstract

We have investigated the nonnative contacts for proteins in a modified HP model by generating all possible conformations (enumeration) to carry out exact calculation for the nonnative contact density nc(e) as a function of the energy e, as well as the thermodynamically average nonnative contacts as a function of temperature of T. A series of abstract coarse-grained chains on standard, weekly and strongly interacting models were studied to estimate the properties of nc(e) and to understand the role for nonnative contacts playing in the protein folding process.-->