A coarse-grained model and associated lattice Monte Carlo simulation of the coil-helix transition of a homopolypeptide.

A new coarse-grained lattice model neglecting atomic details is proposed for the coil-helix transition and a new physical parameter is suggested to characterize a helical structure. In our model, each residue is represented by eight lattice sites, and side groups are not considered explicitly. Chirality and hydrogen bonding are taken into consideration in… CONTINUE READING