Person: Peter, Christine
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Peter
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Now showing 1 - 10 of 25
- PublicationJournal articleSelf-assembling dipeptides : conformational sampling in solvent-free coarse-grained simulation(2009) Villa, Alessandra; Peter, Christine; van der Vegt, Nico F. A.Published in: Physical chemistry chemical physics : PCCP ; 11 (2009), 12. - pp. 2077-2086. - ISSN 1463-9076. - eISSN 1463-9084
- PublicationJournal articleSelf-assembling dipeptides : including solvent degrees of freedom in a coarse-grained model(2009) Villa, Alessandra; van der Vegt, Nico F. A.; Peter, ChristinePublished in: Physical chemistry chemical physics : PCCP ; 11 (2009), 12. - pp. 2068-2076. - ISSN 1463-9076. - eISSN 1463-9084
- PublicationJournal articleMultiscale simulation of soft matter systems : from the atomistic to the coarse-grained level and back(2009) Peter, Christine; Kremer, KurtPublished in: Soft Matter ; 5 (2009), 22. - pp. 4357-4366. - Royal Society of Chemistry (RSC). - ISSN 1744-683X. - eISSN 1744-6848
- PublicationContribution to a collectionStructure-Based Coarse- and Fine-Graining in Soft Matter Simulations(2009) van der Vegt, Nico F. A.; Peter, Christine; Kremer, KurtPublished in: Coarse-Graining of Condensed Phase and Biomolecular Systems / Voth, Gregory (ed.). - Boca Raton : CRC Press, 2009. - pp. 379-397. - ISBN 978-1-4200-5955-7
- PublicationJournal articleModeling Solubilities of Additives in Polymer Microstructures : Single-Step Perturbation Method Based on a Soft-Cavity Reference State(2008) Özal, Tugba A.; Peter, Christine; Hess, Berk; van der Vegt, Nico F. A.Published in: Macromolecules ; 41 (2008), 13. - pp. 5055-5061. - ISSN 0024-9297. - eISSN 1520-5835
- PublicationJournal articleClassical simulations from the atomistic to the mesoscale and back : coarse graining an azobenzene liquid crystal(2008) Peter, Christine; Delle Site, Luigi; Kremer, KurtPublished in: Soft Matter ; 4 (2008), 4. - pp. 859-869. - ISSN 1744-683X. - eISSN 1744-6848
- PublicationJournal articleFast-Growth Thermodynamic Integration : Calculating Excess Chemical Potentials of Additive Molecules in Polymer Microstructures(2008) Hess, Berk; Peter, Christine; Ozal, Tugba; van der Vegt, Nico F. A.Published in: Macromolecules ; 41 (2008), 6. - pp. 2283-2289. - ISSN 0024-9297. - eISSN 1520-5835
- PublicationJournal articleAtomistic Force Field for Azobenzene Compounds Adapted for QM/MM Simulations with Applications to Liquids and Liquid Crystals(2007) Böckmann, Marcus; Peter, Christine; Delle Site, Luigi; Doltsinis, Nikos L.; Kremer, Kurt; Marx, DominikPublished in: Journal of Chemical Theory and Computation : JCTC ; 3 (2007), 5. - pp. 1789-1802. - ISSN 1549-9618. - eISSN 1549-9626
- PublicationJournal articleSolvent Reorganization Contributions in Solute Transfer Thermodynamics : Inferences from the Solvent Equation of State(2007) Peter, Christine; van der Vegt, Nico F. A.Published in: The Journal of Physical Chemistry B ; 111 (2007), 27. - pp. 7836-7842. - ISSN 1520-6106. - eISSN 1520-5207
- PublicationJournal articleThe GROMOS software for biomolecular simulation : GROMOS05(2005) Christen, Markus; Hünenberger, Philippe H.; Bakowies, Dirk; Baron, Riccardo; Bürgi, Roland; Geerke, Daan P.; Heinz, Tim N.; Kastenholz, Mika A.; Kräutler, Vincent; Oostenbrink, Chris; Peter, Christine; Trzesniak, Daniel; van Gunsteren, Wilfred F.Published in: Journal of Computational Chemistry ; 26 (2005), 16. - pp. 1719-1751. - ISSN 0192-8651. - eISSN 1096-987X
