C
Christine Peter
Researcher at University of Konstanz
Publications - 103
Citations - 4488
Christine Peter is an academic researcher from University of Konstanz. The author has contributed to research in topics: Molecular dynamics & Solvation. The author has an hindex of 33, co-authored 96 publications receiving 3971 citations. Previous affiliations of Christine Peter include Max Planck Society & École Polytechnique Fédérale de Lausanne.
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The GROMOS software for biomolecular simulation: GROMOS05
Markus Christen,Philippe H. Hünenberger,Dirk Bakowies,Riccardo Baron,Roland Bürgi,Daan P. Geerke,Tim N. Heinz,Mika A. Kastenholz,Vincent Kräutler,Chris Oostenbrink,Christine Peter,Daniel Trzesniak,Wilfred F. van Gunsteren +12 more
TL;DR: The latest version of the Groningen Molecular Simulation program package, GROMOS05, has been developed for the dynamical modelling of (bio)molecules using the methods of molecular dynamics, stochastic dynamics, and energy minimization.
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Multiscale simulation of soft matter systems – from the atomistic to the coarse-grained level and back
Christine Peter,Kurt Kremer +1 more
TL;DR: It is shown that by coarse-grained simulation in combination with an efficient backmapping methodology one can obtain well-equilibrated long time- and large length-scale atomistic structures of polymeric melts or biomolecular aggregates which can be used for comparison to experimental data.
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Ion Transport through Membrane-Spanning Nanopores Studied by Molecular Dynamics Simulations and Continuum Electrostatics Calculations
Christine Peter,Gerhard Hummer +1 more
TL;DR: The principles that govern ion transport through narrow hydrophobic membrane pores are studied by molecular dynamics simulation of model membranes formed of hexagonally packed carbon nanotubes by calculating local electrostatic potentials and it is found that in those wider channels the ion mobility is comparable to that in the bulk phase.
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Hybrid simulations : combining atomistic and coarse-grained force fields using virtual sites
TL;DR: A straightforward scheme to perform hybrid simulations, making use of virtual sites to couple the two levels of resolution, concluding that the MARTINI and SB potentials are particularly suited to be combined with the atomistic force field.