Kukharenko, Oleksandra
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Kukharenko
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Oleksandra
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7 Ergebnisse
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Gerade angezeigt 1 - 7 von 7
- VeröffentlichungZeitschriftenartikelFast conformational clustering of extensive molecular dynamics simulation data(2023) Hunkler, Simon; Diederichs, Kay; Kukharenko, Oleksandra; Peter, ChristineErschienen in: The Journal of Chemical Physics. AIP Publishing. 2023, 158(14), 144109. ISSN 0021-9606. eISSN 1089-7690. Available under: doi: 10.1063/5.0142797
- VeröffentlichungZeitschriftenartikelGenerating a conformational landscape of ubiquitin chains at atomistic resolution by back-mapping based sampling(2023) Hunkler, Simon; Buhl, Teresa; Kukharenko, Oleksandra; Peter, ChristineErschienen in: Frontiers in Chemistry. Frontiers Research Foundation. 2023, 10, 1087963. eISSN 2296-2646. Available under: doi: 10.3389/fchem.2022.1087963
- VeröffentlichungZeitschriftenartikelGuanidine-II aptamer conformations and ligand binding modes through the lens of molecular simulation(2021) Steuer, Jakob; Kukharenko, Oleksandra; Riedmiller, Kai; Hartig, Jörg S.; Peter, ChristineErschienen in: Nucleic Acids Research. Oxford University Press. 2021, 49(14), pp. 7954-7965. ISSN 0305-1048. eISSN 1362-4962. Available under: doi: 10.1093/nar/gkab592
- VeröffentlichungZeitschriftenartikelBack-mapping based sampling : Coarse grained free energy landscapes as a guideline for atomistic exploration(2019) Hunkler, Simon; Lemke, Tobias; Peter, Christine; Kukharenko, OleksandraErschienen in: The Journal of Chemical Physics. 2019, 151(15), 154102. ISSN 0021-9606. eISSN 1089-7690. Available under: doi: 10.1063/1.5115398
- VeröffentlichungZeitschriftenartikelEfficient Sampling and Characterization of Free Energy Landscapes of Ion-Peptide Systems(2018) Lemke, Tobias; Peter, Christine; Kukharenko, OleksandraErschienen in: Journal of Chemical Theory and Computation : JCTC. 2018, 14(11), pp. 5476-5488. ISSN 1549-9618. eISSN 1549-9626. Available under: doi: 10.1021/acs.jctc.8b00560
- VeröffentlichungZeitschriftenartikelTowards a molecular basis of ubiquitin signaling : a dual-scale simulation study of ubiquitin dimers(2018) Berg, Andrej; Kukharenko, Oleksandra; Scheffner, Martin; Peter, ChristineErschienen in: PLoS computational biology. 2018, 14(11), e1006589. eISSN 1553-7358. Available under: doi: 10.1371/journal.pcbi.1006589
- VeröffentlichungZeitschriftenartikelUsing Dimensionality Reduction to Systematically Expand Conformational Sampling of Intrinsically Disordered Peptides(2016) Kukharenko, Oleksandra; Sawade, Kevin; Steuer, Jakob; Peter, ChristineErschienen in: Journal of Chemical Theory and Computation. 2016, 12(10), pp. 4726-4734. ISSN 1549-9618. eISSN 1549-9626. Available under: doi: 10.1021/acs.jctc.6b00503
