Stabilization of helical polymer phases with different bending and torsional constraints

We performed extensive parallel-tempering Monte Carlo simulations for elastic polymers, employing a generic coarse-grained bead-spring model. We systematically investigate the structural transitions into all possible helical phases by suitable order parameters, temperature, bending and torsional barriers. The dominant conformations contain disordered helical arrangements, single helices and ordered tertiary helix bundles. We also studied how different bending constraints and torsional strengths affect the stability of the structural phases. The results can be accumulated in suitable hyperphase diagrams. This aids in understanding why the restricted flexibility of biological polymers such as double-stranded DNA tends to form helical structures and proteins often exhibit helical structures.