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  • Title: Parallel tempering simulations of HP-36.
    Author: Lin CY, Hu CK, Hansmann UH.
    Journal: Proteins; 2003 Aug 15; 52(3):436-45. PubMed ID: 12866054.
    Abstract:
    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.
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