Towards a molecular basis of ubiquitin signaling: A dual-scale simulation study of ubiquitin dimers. - Andrej Berg; Oleksandra Kukharenko; Martin Scheffner; Christine Peter (PLoS Comput. Biol., 2018)

Data-driven identification and analysis of the glass transition in polymer melts. - Atreyee Banerjee; Hsiao-Ping Hsu; Kurt Kremer; Oleksandra Kukharenko (CoRR, 2022)

Fast conformational clustering of extensive molecular dynamics simulation data. - Simon Hunkler; Kay Diederichs; Oleksandra Kukharenko; Christine Peter (CoRR, 2023)

Combining molecular dynamics simulations and scoring method to computationally model ubiquitylated linker histones in chromatosomes. - Kevin Sawade; Andreas Marx 005; Christine Peter; Oleksandra Kukharenko (PLoS Comput. Biol., 2023)