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Oleksandra Kukharenko
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Using dimensionality reduction to systematically expand conformational sampling of intrinsically disordered peptides
O Kukharenko, K Sawade, J Steuer, C Peter
Journal of chemical theory and computation 12 (10), 4726-4734, 2016
342016
Towards a molecular basis of ubiquitin signaling: A dual-scale simulation study of ubiquitin dimers
A Berg, O Kukharenko, M Scheffner, C Peter
PLoS computational biology 14 (11), e1006589, 2018
312018
Back-mapping based sampling: Coarse grained free energy landscapes as a guideline for atomistic exploration
S Hunkler, T Lemke, C Peter, O Kukharenko
The Journal of Chemical Physics 151 (15), 2019
182019
Efficient Sampling and Characterization of Free Energy Landscapes of Ion–Peptide Systems
T Lemke, C Peter, O Kukharenko
Journal of chemical theory and computation 14 (11), 5476-5488, 2018
132018
Solution of the first boundary-value problem for a system of autonomous second-order linear partial differential equations of parabolic type with a single delay
J Diblík, D Khusainov, O Kukharenko, Z Svoboda
Abstract and Applied Analysis 2012, 2012
92012
Guanidine-II aptamer conformations and ligand binding modes through the lens of molecular simulation
J Steuer, O Kukharenko, K Riedmiller, JS Hartig, C Peter
Nucleic Acids Research 49 (14), 7954-7965, 2021
72021
Fast conformational clustering of extensive molecular dynamics simulation data
S Hunkler, K Diederichs, O Kukharenko, C Peter
The Journal of chemical physics 158 (14), 2023
62023
Solution of the first boundary-value problem for a system of autonomous second-order linear PDEs of parabolic type with a single delay
J Diblík, D Khusainov, O Kukharenko, Z Svoboda
Abstr. Appl. Anal 2012, 2012
52012
Delayed exponential functions and their application to representations of solutions of linear equations with constant coefficients and with single delay
J Diblík, B Morávková, D Khusainov, A Kukharenko
Proceedings of the 2nd international conference on Mathematical Models for …, 2011
52011
Data-driven identification and analysis of the glass transition in polymer melts
A Banerjee, HP Hsu, K Kremer, O Kukharenko
ACS Macro Letters 12 (6), 679-684, 2023
42023
Representation of the solution for linear system of delay equations with distributed parameters
J Diblik, D Khusainov, O Kukharenko
Nonlinear dynamics and systems theory 12 (3), 251-268, 2012
42012
Determining glass transition in all-atom acrylic polymeric melt simulations using machine learning
A Banerjee, A Iscen, K Kremer, O Kukharenko
The Journal of Chemical Physics 159 (7), 2023
32023
Solution of the Cauchy Problem for Oscillatory Equation with Delay
O Kukharenko
arXiv preprint arXiv:1404.6655, 2014
22014
Control in systems of delay hyperbolic equations
O Kukharenko
Advances in Dynamical Systems and Applications 9 (2), 199-211, 2014
12014
Multiscale approaches to model the functions of Ubiquitin and SUMO modifications in protein phase separation
S Naskar, K Kremer, O Kukharenko
Bulletin of the American Physical Society, 2024
2024
Combining molecular dynamics simulations and scoring method to computationally model ubiquitylated linker histones in chromatosomes
K Sawade, A Marx, C Peter, O Kukharenko
PLoS Computational Biology 19 (8), e1010531, 2023
2023
Deep Learning to Analyze Sliding Drops
S Shumaly, F Darvish, X Li, A Saal, C Hinduja, W Steffen, O Kukharenko, ...
Langmuir 39 (3), 1111-1122, 2023
2023
Generating a conformational landscape of ubiquitin chains at atomistic resolution by back-mapping based sampling
S Hunkler, T Buhl, O Kukharenko, C Peter
Frontiers in Chemistry 10, 1087963, 2023
2023
Travelling through levels of resolution with machine-learning methods
T Lemke, S Hunkler, O Kukharenko, C Peter
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 257, 2019
2019
Efficient molecular dynamics simulation of linker histone ubiquitylation
O Kukharenko, K Sawade, C Peter
EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS 46, S221-S221, 2017
2017
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