Oleksandra Kukharenko

Using Dimensionality Reduction to Systematically Expand Conformational Sampling of Intrinsically Disordered Peptides

Oleksandra Kukharenko, Kevin Sawade, Jakob Steuer et al. · Journal of Chemical Theory and Computation · 2016 · 36 citations

Engineering, Molecular Biology, Molecular Dynamics +21

Towards a molecular basis of ubiquitin signaling: A dual-scale simulation study of ubiquitin dimers

Andrej Berg, Oleksandra Kukharenko, Martin Scheffner et al. · PLoS Computational Biology · 2018 · 30 citations · Full text

Protein Assembly, Biomolecular Structure Prediction, Structural Bioinformatics +20

Back-mapping based sampling: Coarse grained free energy landscapes as a guideline for atomistic exploration

Simon Hunkler, Tobias Lemke, Christine Peter et al. · The Journal of Chemical Physics · 2019 · 19 citations

Fast conformational clustering of extensive molecular dynamics simulation data

Simon Hunkler, Kay Diederichs, Oleksandra Kukharenko et al. · The Journal of Chemical Physics · 2023 · 18 citations · Full text

Cluster Computing, Engineering, Molecular Biology +17

Data-Driven Identification and Analysis of the Glass Transition in Polymer Melts

Atreyee Banerjee, Hsiao‐Ping Hsu, Kurt Kremer et al. · ACS Macro Letters · 2023 · 18 citations · Full text