Parallel tempering algorithm for conformational studies of biological molecules UHE Hansmann Chemical Physics Letters 281 (1-3), 140-150, 1997 | 1324 | 1997 |

Prediction of peptide conformation by multicanonical algorithm: New approach to the multiple‐minima problem UHE Hansmann, Y Okamoto Journal of computational chemistry 14 (11), 1333-1338, 1993 | 494 | 1993 |

New Monte Carlo algorithms for protein folding UHE Hansmann, Y Okamoto Current opinion in structural biology 9 (2), 177-183, 1999 | 387 | 1999 |

Molecular dynamics, Langevin and hydrid Monte Carlo simulations in a multicanonical ensemble UHE Hansmann, Y Okamoto, F Eisenmenger Chemical physics letters 259 (3-4), 321-330, 1996 | 352 | 1996 |

Optimized parallel tempering simulations of proteins S Trebst, M Troyer, UHE Hansmann The Journal of chemical physics 124 (17), 2006 | 268 | 2006 |

Thermodynamics of helix-coil transitions studied by multicanonical algorithms Y Okamoto, UHE Hansmann The journal of physical chemistry 99 (28), 11276-11287, 1995 | 243 | 1995 |

Global optimization by energy landscape paving UHE Hansmann, LT Wille Physical review letters 88 (6), 068105, 2002 | 232 | 2002 |

Numerical comparisons of three recently proposed algorithms in the protein folding problem UHE Hansmann, Y Okamoto Journal of Computational Chemistry 18 (7), 920-933, 1997 | 216 | 1997 |

New optimization algorithms in physics AK Hartmann, H Rieger Wiley-vch 65, 134411, 2004 | 201 | 2004 |

Generalized-ensemble Monte Carlo method for systems with rough energy landscape UHE Hansmann, Y Okamoto Physical Review E 56 (2), 2228, 1997 | 165 | 1997 |

[SMMP] A modern package for simulation of proteins F Eisenmenger, UHE Hansmann, S Hayryan, CK Hu Computer physics communications 138 (2), 192-212, 2001 | 161 | 2001 |

Comparative study of multicanonical and simulated annealing algorithms in the protein folding problem UHE Hansmann, Y Okamoto Physica A: Statistical Mechanics and its Applications 212 (3-4), 415-437, 1994 | 160 | 1994 |

Simulation of an ensemble with varying magnetic field: A numerical determination of the order-order interface tension in the *D*=2 Ising modelBA Berg, U Hansmann, T Neuhaus Physical Review B 47 (1), 497, 1993 | 146 | 1993 |

Parallel tempering simulations of hp‐36 CY Lin, CK Hu, UHE Hansmann Proteins: Structure, Function, and Bioinformatics 52 (3), 436-445, 2003 | 134 | 2003 |

Properties of interfaces in the two and three dimensional Ising model BA Berg, U Hansmann, T Neuhaus Zeitschrift für Physik B Condensed Matter 90, 229-239, 1993 | 134 | 1993 |

Finite-size scaling of helix-coil transitions in poly-alanine studied by multicanonical simulations UHE Hansmann, Y Okamoto arXiv preprint cond-mat/9810358, 1998 | 122* | 1998 |

Generalized ensemble and tempering simulations: A unified view W Nadler, UHE Hansmann Physical Review E 75 (2), 026109, 2007 | 116 | 2007 |

Efficient sampling of protein structures by model hopping W Kwak, UHE Hansmann Physical review letters 95 (13), 138102, 2005 | 113 | 2005 |

Characteristic temperatures of folding of a small peptide UHE Hansmann, M Masuya, Y Okamoto Proceedings of the National Academy of Sciences 94 (20), 10652-10656, 1997 | 110 | 1997 |

Partition function zeros and finite size scaling of helix-coil transitions in a polypeptide NA Alves, UHE Hansmann Physical Review Letters 84 (8), 1836, 2000 | 109 | 2000 |