Publications | Dr. Oleksandra Kukharenko

Shumaly, S.; Darvish, F.; Li, X.; Kukharenko, O.; Steffen, W.; Guo, Y.; Butt, H.-J.; Berger, R.: Estimating sliding drop width via side-view features using recurrent neural networks. Scientific Reports 14 (1), 12033 (2024)

Sawade, K.; Marx, A.; Peter, C.; Kukharenko, O.: Combining molecular dynamics simulations and scoring method to computationally model ubiquitylated linker histones in chromatosomes. PLoS Computational Biology 19 (8), e1010531 (2023)

Banerjee, A.; Hsu, H.-P.; Kremer, K.; Kukharenko, O.: Data-Driven Identification and Analysis of the Glass Transition in Polymer Melts. ACS Macro Letters 12, pp. 679 - 684 (2023)

Hunkler, S.; Diederichs, K.; Kukharenko, O.; Peter, C.: Fast conformational clustering of extensive molecular dynamics simulation data. The Journal of Chemical Physics 158 (14), 144109 (2023)

Shumaly, S.; Darvish, F.; Li, X.; Saal, A.; Hinduja, C.; Steffen, W.; Kukharenko, O.; Butt, H.-J.; Berger, R.: Deep Learning to Analyze Sliding Drops. Langmuir 39 (3), pp. 1111 - 1122 (2023)

Hunkler, S.; Buhl, T.; Kukharenko, O.; Peter, C.: Generating a conformational landscape of ubiquitin chains at atomistic resolution by back-mapping based sampling. Frontiers in Chemistry 10, 1087963 (2023)

Banerjee, A.; Iscen, A.; Kremer, K.; Kukharenko, O.: Determining glass transition in all-atom acrylic polymeric melt simulations using machine learning. The Journal of Chemical Physics 159 (7), 074108 (2023)

Steuer, J.; Kukharenko, O.; Riedmiller, K.; Hartig, J. S.; Peter, C.: Guanidine-II aptamer conformations and ligand binding modes through the lens of molecular simulation. Nucleic Acids Research (London) 49 (14), pp. 7954 - 7965 (2021)