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- Phang Cheng Kar, Michael Seel, +8 authors Siegfried HÃ¶finger
- 2007

c Â© 2007 by John von Neumann Institute for Computing Permission to make digital or hard copies of portions of this work for personal or classroom use is granted provided that the copies are not madeâ€¦ (More)

- Workalemahu Mikre Berhanu, Peng Jiang, U. H. E. Hansmann
- Physical review. E, Statistical, nonlinear, andâ€¦
- 2013

The 84-residue homotetrameric BBAT1 is one of the smallest stable protein complexes and therefore is a good test system to study the self-assembly of multimeric proteins. We have researched for thisâ€¦ (More)

- Jan Meinke, S. Mohanty, +9 authors Ulrich H. E. Hansmann
- 2008

c Â© 2008 by John von Neumann Institute for Computing Permission to make digital or hard copies of portions of this work for personal or classroom use is granted provided that the copies are not madeâ€¦ (More)

- T. Neuhaus, M. P. Magiera, U. H. E. Hansmann
- Physical review. E, Statistical, nonlinear, andâ€¦
- 2007

We present a Monte Carlo algorithm that facilitates efficient parallel tempering simulations of the density of states g(E) . We show that the algorithm eliminates the supercritical slowing down inâ€¦ (More)

When phase transitions are studied in statistical physics, the basic assumption is usually that the dimensions of the macroscopic system are very large compared with that of the constitutingâ€¦ (More)

- Simon Trebst, U. H. E. Hansmann
- The European physical journal. E, Soft matter
- 2007

We describe optimized parallel tempering simulations of the 46-residue B-fragment of protein A. Native-like configurations with a root-mean-square deviation of approximately 3 A to the experimentallyâ€¦ (More)

- Sandipan Mohanty, U. H. E. Hansmann
- The Journal of chemical physics
- 2007

Using the 28 residue betabetaalpha protein FSD-EY as a target system, we examine correction terms for the ECEPP/3 force field. We find an increased probability of formation of the native state at lowâ€¦ (More)

c Â© 2007 by John von Neumann Institute for Computing Permission to make digital or hard copies of portions of this work for personal or classroom use is granted provided that the copies are not madeâ€¦ (More)

- Sandipan Mohanty, U. H. E. Hansmann
- Physical review. E, Statistical, nonlinear, andâ€¦
- 2007

Experimentally well-characterized proteins that are small enough to be computationally tractable provide useful information for refining existing all-atom force fields. This is used by us forâ€¦ (More)

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