Parallel tempering simulations of HP-36
We report results from all-atom Monte Carlo simulations of the 36-residue villin headpiece subdomain HP-36. Protein-solvent interactions are approximated by an implicit solvent model. The parallel tempering is used to overcome the problem of slow convergence in low-temperature protein simulations. Our results show that this technique allows one to sample native-like structures of small proteins and points out the need for improved energy functions. © 2003 Wiley-Liss, Inc.
Proteins: Structure, Function and Genetics
Parallel tempering simulations of HP-36.
Proteins: Structure, Function and Genetics,
Retrieved from: https://digitalcommons.mtu.edu/michigantech-p/3857