Elena Breitmoser

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For many macromolecular systems the accurate sampling of the relevant regions on the potential energy surface cannot be obtained by a single, long Molecular Dynamics (MD) trajectory. New approaches are required to promote more efficient sampling. We present the design and implementation of the Extensible Toolkit for Advanced Sampling and analYsis (ExTASY)(More)
The magnetic field structure and the collimated outflow of rapidly rotating Young Stellar Objects (YSOs) are calculated from the stellar source to the asymptotic region. The calculations are based on ideal MHD and the further simplifying assumptions of stationarity and axisymmetry. The star–disk–jet system can be completely defined by the Grad-Shafranov(More)
c © 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 made or distributed for profit or commercial advantage and that copies bear this notice and the full citation on the first page. To copy otherwise requires prior(More)
Coherent eta photoproduction on the deuteron is studied in the S11 resonance region neglecting eta rescattering and two-body processes. For the elementary reaction on the nucleon, we have considered the dominant S11(1535) resonance and as background the nucleon pole terms as well as ρ and ω meson exchange. We have studied the influence of different choices(More)
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