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    Modeling Molecularly Imprinted Nanoparticles with LNKD: A Resource Efficient Algorithm for Polymer Cross-Linking by Emma Stevens (22257358)

    Published 2025
    “…Here, we propose LNKD (Linking Nodes in KD-trees), a resource-efficient algorithm for predicting pairs of reactive atoms in pre-cross-linked 3D structures of monomers that applies not only to the modeling of MIPs, but also chemical cross-linking in other materials. …”
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