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The Journal of Chemical Physics|January 3, 2016
Relative resolution: A hybrid formalism for fluid mixturesAviel Chaimovich, Christine Peter, Kurt KremerSoft Matter|September 10, 2020
Classical simulations from the atomistic to the mesoscale and back: coarse graining an liquid crystalChristine Peter, Luigi Delle Site, Kurt KremerJournal of Chemical Theory and Computation|November 24, 2015
Coarse-Grained and Atomistic Simulations of the Salt-Stable Cowpea Chlorotic Mottle Virus (SS-CCMV) Subunit 26-49: β-Barrel Stability of the Hexamer and Pentamer GeometriesTristan Bereau, Christoph Globisch, Markus Deserno, et al.Journal of Chemical Theory and Computation|September 3, 2016
Using Dimensionality Reduction to Systematically Expand Conformational Sampling of Intrinsically Disordered PeptidesOleksandra Kukharenko, Kevin Sawade, Jakob Steuer, et al.Plos One|April 25, 2013
Optimization of an elastic network augmented coarse grained model to study CCMV capsid deformationChristoph Globisch, Venkatramanan Krishnamani, Markus Deserno, et al.Plos Computational Biology|November 17, 2018
Towards a molecular basis of ubiquitin signaling: A dual-scale simulation study of ubiquitin dimersAndrej Berg, Oleksandra Kukharenko, Martin Scheffner, et al.Frontiers in Chemistry|January 27, 2023
Generating a conformational landscape of ubiquitin chains at atomistic resolution by back-mapping based samplingSimon Hunkler, Teresa Buhl, Oleksandra Kukharenko, et al.Journal of Computational Chemistry|February 3, 2012
Multiscale simulation of small peptides: consistent conformational sampling in atomistic and coarse-grained modelsOlga Bezkorovaynaya, Alexander Lukyanov, Kurt Kremer, et al.Journal of Chemical Information and Modeling|October 25, 2019
EncoderMap(II): Visualizing Important Molecular Motions with Improved Generation of Protein ConformationsTobias Lemke, Andrej Berg, Alok Jain, et al.The Journal of Chemical Physics|October 24, 2019
Back-mapping based sampling: Coarse grained free energy landscapes as a guideline for atomistic explorationSimon Hunkler, Tobias Lemke, Christine Peter, et al.Pageof 8