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)

Mohr, B.; van der Mast, D.; Bereau, T.: Condensed-Phase Molecular Representation to Link Structure and Thermodynamics in Molecular Dynamics. Journal of Chemical Theory and Computation 19 (14), S. 4770 - 4779 (2023)

Baptista, L. A.; Zhao, Y.; Kremer, K.; Mukherji, D.; Cortes-Huerto, R.: Stabilizing α-Helicity of a Polypeptide in Aqueous Urea: Dipole Orientation or Hydrogen Bonding? ACS Macro Letters 12 (7), S. 841 - 847 (2023)

Zhugayevych, A.; Lin, K.-H.; Andrienko, D.: Electronic coarse-graining of long conjugated molecules: Case study of non-fullerene acceptors. The Journal of Chemical Physics 159 (2), 024107 (2023)

Hsu, H.-P.; Singh, M. K.; Cang, Y.; Therien-Aubin, H.; Mezger, M.; Berger, R.; Lieberwirth, I.; Fytas, G.; Kremer, K.: Free Standing Dry and Stable Nanoporous Polymer Films Made through Mechanical Deformation. Advanced Science 10 (18), 2207472 (2023)

Forero-Martinez, N. C.; Cortes-Huerto, R.; Ward, L.; Ballone, P.: Water Harvesting by Thermoresponsive Ionic Liquids: A Molecular Dynamics Study of the Water Absorption Kinetics and of the Role of Nanostructuring. Journal of Physical Chemistry B 127 (24), S. 5494 - 5508 (2023)

Prajapati, R. V. V.; Prajapati, V. D. D.; Purohit, V. B. B.; Baptista, L. A.; Avalani, J. R. R.; Sapariya, N. H. H.; Karad, S. C. C.; Raval, D. K. K.: N-Chlorosuccinimide Mediated Direct C-H Thiocyanation of 1-Aryl-5-pyrazolones at Room Temperature. ChemistrySelect 8 (22), e202301018 (2023)

Girard, M.; Bereau, T.: Induced asymmetries in membranes. Biophysical Journal 122 (11), S. 2092 - 2098 (2023)

Hartge, H. M.; Flöter, E.; Vilgis, T. A.: Crystallization in highly supersaturated, agitated sucrose solutions. Physics of Fluids 35 (6), 064120 (2023)

Sevilla, M.; Banerjee, A.; Cortes-Huerto, R.: Finite-size excess-entropy scaling for simple liquids. The Journal of Chemical Physics 158 (20), 204502 (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, S. 679 - 684 (2023)

Iscen, A.; Forero-Martinez, N. C.; Valsson, O.; Kremer, K.: Molecular Simulation Strategies for Understanding the Degradation Mechanisms of Acrylic Polymers. Macromolecules 56 (9), S. 3272 - 3285 (2023)

Stankevych, A.; Saxena, R.; Vakhnin, A.; May, F.; Kinaret, N.; Andrienko, D.; Genoe, J.; Bässler, H.; Köhler, A.; Kadashchuk, A.: Monitoring the Charge-Carrier-Occupied Density of States in Disordered Organic Semiconductors under Nonequilibrium Conditions Using Thermally Stimulated Luminescence Spectroscopy. Physical Review Applied 19 (5), 054007 (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)

Vilgis, T. A.; Zambrano, J. C.: Tunable oleosome-based oleogels: Influence of polysaccharide type for polymer bridging-based structuring. Food Hydrocolloids 137, 108399 (2023)

Wu, Y.; Li, Y.; van der Zee, B.; Liu, W.; Markina, A.; Fan, H.; Yang, H.; Cui, C.; Li, Y.; Blom, P. W. M. et al.; Andrienko, D.; Wetzelaer, G.-J.: Reduced bimolecular charge recombination in efficient organic solar cells comprising non-fullerene acceptors. Scientific Reports 13 (1), 4717 (2023)

Pampel, B.; Holbach, S.; Hartung, L.; Valsson, O.: Sampling rare event energy landscapes via birth-death augmented dynamics. Physical Review E 107 (2), 024141 (2023)

Zhao, Y.; Rothörl, J.; Besenius, P.; Virnau, P.; Daoulas, K. C.: Can Polymer Helicity Affect Topological Chirality of Polymer Knots? ACS Macro Letters 12 (2), S. 234 - 240 (2023)

Zambrano, J. C.; Vilgis, T. A.: Tunable oleosome-based oleogels: Effect of polysaccharide architecture on polymer bridging-based structuring. Physics of Fluids 35 (2), 027131 (2023)

Hasenburg, F.; Lin, K.-H.; van der Zee, B.; Blom, P. W. M.; Andrienko, D.; Wetzelaer, G.-J. A. H.: Ambipolar charge transport in a non-fullerene acceptor. APL Materials 11 (2), 021105 (2023)