Micromechanics

Benois, A., Echeverri Restrepo, S., De Laurentis, N., Hogenberk, F., Giuntoli, A. & Lugt, P. M., 21-Jun-2024, In: Tribology Letters. 72, 3, 16 p., 78.

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A Molecular Dynamics Study of Mechanical and Conformational Properties of Conjugated Polymer Thin Films

Wang, Y., Li, Z., Niu, K., Xia, W. & Giuntoli, A., 11-Jun-2024, In: Macromolecules. 57, 11, p. 5130-5142 13 p.

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Bidispersity Improves the Toughness and Impact Resistance of Star-Polymer Thin Films

Gürel, U., Keten, S. & Giuntoli, A., 19-Feb-2024, In: Acs Macro Letters. 13, p. 302-307 6 p.

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C9orf72 polyPR directly binds to various nuclear transport components

Jafarinia, H., van der Giessen, E. & Onck, P. R., 14-Mar-2024, In: eLife. 12, 14 p., RP89694.

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C9orf72 polyPR interaction with the nuclear pore complex

Jafarinia, H., Van der Giessen, E. & Onck, P. R., 15-Oct-2024, In: Biophysical Journal. 123, 20, p. 3533-3539 7 p.

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Computational fluid-structure interaction in biology and soft robots: A review

Pramanik, R., Verstappen, R. W. C. P. & Onck, P. R., 4-Oct-2024, In: Physics of Fluids. 36, 10, 38 p., 101302.

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Core structure of dislocations in ordered ferromagnetic FeCo

Egorov, A., Kraych, A., Mrovec, M., Drautz, R. & Hammerschmidt, T., Sept-2024, In: Physical Review Materials. 8, 9, 9 p., 093604.

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Diameter Dependence of Transport through Nuclear Pore Complex Mimics Studied Using Optical Nanopores

Klughammer, N., Barth, A., Dekker, M., Fragasso, A., Onck, P. R. & Dekker, C., 20-Feb-2024, In: eLife. 12, 58 p., eLife.87174.1.

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Efficiency, accuracy, and transferability of machine learning potentials: Application to dislocations and cracks in iron

Zhang, L., Csányi, G., van der Giessen, E. & Maresca, F., 15-May-2024, In: Acta Materialia. 270, 17 p., 119788.

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Energy renormalization for temperature transferable coarse-graining of silicone polymer

Zhang, D., Wang, Y., Safaripour, M., Bellido-Aguilar, D. A., Van Donselaar, K. R., Webster, D. C., Croll, A. B. & Xia, W., 19-Jan-2024, In: Physical Chemistry Chemical Physics. 26, 5, p. 4541-4554 14 p.

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Insights into the thermomechanical and interfacial behaviors of polymer-clay nanocomposites via coarse-grained molecular dynamics simulations

Nie, W., Liao, Y., Ghazanfari, S., Wang, Y., Wang, X., Huang, Y. & Xia, W., 20-Jun-2024, In: Polymer Composites. 45, 9, p. 8508-8526 19 p.

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Investigation of Projectile Impact Behaviors of Graphene Aerogel Using Molecular Dynamics Simulations

Zhang, X., Xia, W., Wang, Y., Wang, L. & Liu, X., 11-Mar-2024, In: CMES - Computer Modeling in Engineering and Sciences. 139, 3, p. 3047-3061 15 p.

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J-domain proteins: From molecular mechanisms to diseases

Marszalek, J., De Los Rios, P., Cyr, D., Mayer, M. P., Adupa, V., Andréasson, C., Blatch, G. L., Braun, J. E. A., Brodsky, J. L., Bukau, B., Chapple, J. P., Conz, C., Dementin, S., Genevaux, P., Genest, O., Goloubinoff, P., Gestwicki, J., Hammond, C. M., Hines, J. K. & Ishikawa, K. & 17 others, Joachimiak, L. A., Kirstein, J., Liberek, K., Mokranjac, D., Nillegoda, N., Ramos, C. H. I., Rebeaud, M., Ron, D., Rospert, S., Sahi, C., Shalgi, R., Tomiczek, B., Ushioda, R., Ustyantseva, E., Ye, Y., Zylicz, M. & Kampinga, H. H., Feb-2024, In: Cell stress & chaperones. 29, 1, p. 21-33 13 p.

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Looping and gelation kinetics in reversible networks based on furan and maleimide

van den Tempel, P., Wang, Y., Duong, T. M., Winkelman, J. G. M., Picchioni, F., Giuntoli, A. & Bose, R. K., Dec-2024, In: Materials Today Chemistry. 42, 11 p., 102361.

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Modeling-driven materials by design for conjugated polymers: insights into optoelectronic, conformational, and thermomechanical properties

Li, Z., Tolba, S. A., Wang, Y., Alesadi, A. & Xia, W., 21-Oct-2024, In: Chemical Communications. 60, 82, p. 11625-11641 17 p.

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Multiscale modeling of fracture in bcc metals

Zhang, L., 2024, [Groningen]: University of Groningen. 181 p.

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Nature-inspired miniaturized magnetic soft robotic swimmers

Pramanik, R., Verstappen, R. W. C. P. & Onck, P., 24-Apr-2024, In: Applied physics reviews. 11, 2, 38 p., 021312 .

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Nucleoporin Nsp1 surveils the phase state of FG-Nups

Otto, T. A., Bergsma, T., Dekker, M., Mouton, S. N., Gallardo, P., Wolters, J. C., Steen, A., Onck, P. R. & Veenhoff, L. M., 22-Oct-2024, In: Cell reports. 43, 10, 30 p., 114793.

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Present and future of atomistic simulations of dislocation plasticity

Maresca, F. & van der Giessen, E., 26-Apr-2024, In: KIM REVIEW. 2, 04, 4 p.

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Probing conformational properties of conjugated polymers in dilute solutions under variable solvent quality via coarse-grained modeling

Li, Z., Wang, Y., Ma, G., Liao, Y., Gu, X. & Xia, W., 1-Apr-2024, In: Journal of Polymer Science. 62, 7, p. 1296-1309 14 p.

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Programmable metachronal motion of closely packed magnetic artificial cilia

Wang, T., ul Islam, T., Steur, E., Homan, T., Aggarwal, I., Onck, P. R., den Toonder, J. M. J. & Wang, Y., 21-Mar-2024, In: Lab on a Chip. 24, 6, p. 1573-1585 13 p.

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Revisiting the structures and energies of β-SiC 001 symmetric tilt grain boundaries

Wang, L., Zhang, L. & Yu, W., 14-Aug-2024, In: Journal of materials research. 39, 15, p. 2166-2175 10 p.

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Structure-Property Relationships of Granular Hybrid Hydrogels Formed through Polyelectrolyte Complexation

Es Sayed, J., Mukherjee, A., El Aani, S., Vengallur, N., Koch, M., Giuntoli, A. & Kamperman, M., 9-Apr-2024, In: Macromolecules. 57, 7, p. 3190-3201 12 p.

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Tertiary structure and conformational dynamics of the anti-amyloidogenic chaperone DNAJB6b at atomistic resolution

Adupa, V., Ustyantseva, E., Kampinga, H. H. & Onck, P. R., 16-Apr-2024, In: Nature Communications. 15, 1, 12 p., 3285.

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The Effect of Dipeptide Repeat Proteins on FUS/TDP43-RNA Condensation in C9orf72 ALS/FTD

Driver, M. D., Postema, J. & Onck, P. R., 3-Oct-2024, In: The Journal of Physical Chemistry. B: Materials, Surfaces, Interfaces, & Biophysical. 128, 39, p. 9405–9417 13 p.

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Thermomechanically and Conformationally Consistent Coarse-Graining of Donor-Acceptor Polymers via Energy Renormalization Approach

Wang, Y., Li, Z., Giuntoli, A. & Xia, W., 22-Nov-2024, In: ACS Applied Polymer Materials. 6, 22, p. 14009 - 14020 12 p.

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2023

3D-printed micrometer-scale wireless magnetic cilia with metachronal programmability

Zhang, S., Hu, X., Li, M., Bozuyuk, U., Zhang, R., Suadiye, E., Han, J., Wang, F., Onck, P. & Sitti, M., Mar-2023, In: Science Advances. 9, 12, 15 p., eadf9462.

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A One-Bead-Per-Saccharide (1BPS) Model for Glycosaminoglycans

Shakibi, S., Onck, P. R. & Van der Giessen, E., 22-Aug-2023, In: Journal of Chemical Theory and Computation. 19, 16, p. 5491–5502 12 p.

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Atomistic fracture in bcc iron revealed by active learning of Gaussian approximation potential

Zhang, L., Csányi, G., van der Giessen, E. & Maresca, F., Dec-2023, In: Npj computational materials. 9, 1, 217.

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Efficient, Accurate, and Transferable Machine Learning Potentials: Application to Dislocations and Cracks in Iron

Zhang, L., Csanyi, G., van der Giessen, E. & Maresca, F., 19-Jul-2023, (Submitted) arXiv.

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Efficient low-density grating setup for monochromatization of XUV ultrafast light sources

Guo, Q., Dendzik, M., Berntsen, M. H., Grubišić-Čabo, A., Li, C., Chen, W., Wang, Y. & Tjernberg, O., 27-Feb-2023, In: Optics Express. 31, 5, p. 8914-8926 13 p.

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Exploring Intra- and Inter-Regional Interactions in the IDP α-Synuclein Using smFRET and MD Simulations

Heesink, G., Marseille, M. J., Fakhree, M. A. A., Driver, M. D., van Leijenhorst-Groener, K. A., Onck, P. R., Blum, C. & Claessens, M. M. A. E., 14-Aug-2023, In: Biomacromolecules. 24, 8, p. 3680–3688 9 p.

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Extracellular proteoglycans: A multiscale computational study

Shakibi, S., Onck, P. R., Van, E. & van der Giessen, E., 10-Feb-2023, In: Biophysical Journal. 122, 3 Supplement 1, p. 420a-421a 2 p.

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Magnetic-field-induced propulsion of jellyfish-inspired soft robotic swimmers

Pramanik, R., Verstappen, R. W. C. P. & Onck, P. R., 18-Jan-2023, In: Physical Review E. 107, 18 p., 014607.

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Mechanowetting: numerical and theoretical analysis of droplet dynamics on deforming surfaces

de Jong, E., 2023, [Groningen]: University of Groningen. 147 p.

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Numerical modeling and quantification of droplet mixing using mechanowetting

De Jong, E., Van Der Klok, M. L., Den Toonder, J. M. J. & Onck, P. R., 1-Apr-2023, In: Physics of Fluids. 35, 4, 7 p., 043313.

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Phase separation of intrinsically disordered FG-Nups is driven by highly dynamic FG motifs

Dekker, M., Van der Giessen, E. & Onck, P. R., 20-Jun-2023, In: Proceedings of the National Academy of Sciences of the United States of America. 120, 25, 11 p., e2221804120.

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Predicting the Effect of Hardener Composition on the Mechanical and Fracture Properties of Epoxy Resins Using Molecular Modeling

Pal, S., Dansuk, K., Giuntoli, A., Sirk, T. W. & Keten, S., 27-Jun-2023, In: Macromolecules. 56, 12, p. 4447-4456 10 p.

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Semi-Parametric Functional Calibration Using Uncertainty Quantification Based Decision Support

van Beek, A., Giuntoli, A., Hansoge, N. K., Keten, S. & Chen, W., 1-Jun-2023, In: Journal of Verification, Validation and Uncertainty Quantification. 8, 2, 15 p., 021004.

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Shear Thinning from Bond Orientation in Model Unentangled Bottlebrush Polymer Melts

Gürel, U. & Giuntoli, A., 8-Aug-2023, In: Macromolecules. 56, p. 5708–5717 10 p.

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Spatial-temporal changes of land-use mercury emissions in China

Guo, S. & Wang, Y., Feb-2023, In: Ecological indicators. 146, 10 p., 109430.

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Structural properties of the HNF-1A transactivation domain

Kind, L., Driver, M., Raasakka, A., Onck, P. R., Njølstad, P. R., Arnesen, T. & Kursula, P., 2023, In: Frontiers in Molecular Biosciences. 10, 16 p., 1249939.

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Tailoring flake size and chemistry to improve impact resistance of graphene oxide thin films

White, H. L., Giuntoli, A., Fermen-Coker, M. & Keten, S., Nov-2023, In: Carbon. 215, 11 p., 118382.

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Micromechanics

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