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Dataset: NMR chemical shift of confined 129Xe: coordination number, paramagnetic channels and molecular dynamics in a cryptophane-A biosensor

Perttu Hilla2025
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Molecular dynamics simulations reveal how vinculin refolds partially unfolded talin rod helices to stabilize them against mechanical force

Vasyl V. Mykuliak, Vesa P. Hytönen2024
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Dataset for Metal-Water Interface Formation: Thermodynamics from Ab-Initio Molecular Dynamics Simulations

Marko Melander2024
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Snapshots from irradiation simulations of tungsten, containing deuterium

Victor Lindblad2024
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Thermal disorder prevents the suppression of ultra-fast photochemistry in the strong light-matter coupling regime

Luis Duarte, Hassan A. Qureshi, Arpan Dutta, J. Jussi Toppari, Nemanja Markesevic, Ville Tiainen, Dmitry Morozov, Gerrit Groenhof, Ilia Sokolovskii2024
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Design and assembly of core/shell nanostructures as investigated by microfluidics and molecular dynamics simulation_dataset_DLS_TEM_MD

Jiaqi Yan, Markus Peurla, Wali Inam, Hongbo Zhang, Jessica Rosenholm, Outi Salo-Ahen, Rajendra Bhadane2024
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Electronic Effects in Radiation-Induced Collision Cascades in Nickel - Resulting Atomistic Structures

Andrea E. Sand, Glen P. Kiely2024
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rhodamine, HBT and HBQ in optical cavities

Gerrit Groenhof2024
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2024_Harmat_CRPS

Adam Harmat, Maria Sammalkorpi2024
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Enhanced Excitation Energy Transfer under Strong Light-Matter Coupling: Insights from Multi-Scale Molecular Dynamics Simulations

Gerrit Groenhof, Ilia Sokolovskii, Ruth Tichauer2023