Efficient Monte Carlo Methods for Cyclic Peptides
  We present a new, biased Monte Carlo scheme for simulating complex, cyclic peptides. Backbone atoms are equilibrated with a biased rebridging scheme, and side-chain atoms are equilibrated with a look-ahead configurational bias Monte Carlo. Parallel tempering is shown to be an important ingredient in the construction of an efficient approach. 
Minghong G. Wu and Michael W. Deem (UCLA Chem. Engr)