An algorithm generates molecular cages tailored to a given substrate by modeling atoms as constrained graphs and computing minimal paths between placed binding patterns.
A Graph-Based Similarity Approach to Classify Recurrent Complex Motifs from Their Context in RNA Structures
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Computational Generation of Substrate-Specific Molecular Cages
An algorithm generates molecular cages tailored to a given substrate by modeling atoms as constrained graphs and computing minimal paths between placed binding patterns.