Showing 1 - 3 results of 3 for search 'Au₁₄₄(SR)₆₀', query time: 0.03s Refine Results
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    Analyzing protein-nanocluster interactions with graph-based machine learning for molecular dynamics by Sikoniemi, Anssi

    Published 2024
    “…In this work a custom graph convolutional network was succesfully constructed and trained to predict interaction energies in molecular dynamics simulations between Au25(SR)18 nanoclusters and BSA proteins based on their physical and chemical features. …”
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    Master's thesis
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