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  1. No Access

    Article

    Computer simulation of proteins: thermodynamics and structure prediction

    Over the last decade, computer simulations have become an increasingly important tool to study proteins. They now regularly complement experimental investigations and often are the only instrument to probe pro...

    J. H. Meinke, S. Mohanty, W. Nadler, O. Zimmermann… in The European Physical Journal D (2009)

  2. No Access

    Chapter and Conference Paper

    A Multicanonical Study of Non-Polar Amino Acids

    We perform a multicanonical simulation of non polar amino acids and study their α-helix propensities. Starting simulations from completely random initial conformations, we have calculated various quantities li...

    U. H. E. Hansmann… in Computer Simulation Studies in Condensed-Matter Physics VII (1994)

  3. No Access

    Article

    The van Hemmen spin glass revisited

    We simulated the van Hemmen spin glass model by multicanonical algorithm. The exact results for this mean-field model are reproduced. Physical quantities such as energy density, specific heat, susceptibility a...

    T. Celik, U. H. E. Hansmann, M. Katoot in Journal of Statistical Physics (1993)

  4. No Access

    Chapter and Conference Paper

    Prediction of Peptide Conformation by the Multicanonical Algorithm

    We test the effectiveness of the multicanonical algorithm for the tertiary structure prediction of peptides and proteins. As a simple example we study Metenkephalin. The lowest-energy conformation obtained agr...

    U. H. E. Hansmann, Y. Okamoto in Computer Simulation Studies in Condensed-Matter Physics VI (1993)

  5. No Access

    Chapter and Conference Paper

    Study of ± J Ising Spin Glasses via Multicanonical Ensemble

    We performed numerical simulations of 2D and 3D Edwards-Anderson spin glass models by using the recently developed multicanonical ensemble. Our ergodicity times increase with the lattice size approximately as V ...

    T. Celik, U. H. E. Hansmann, B. Berg in Computer Simulation Studies in Condensed-M… (1993)