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Anderson, Rachel; Avila, Alberto; Fu, Bin; Gomez, Timothy; Grizzell, Elise; Massie, Aiden; Mukhopadhyay, Gourab; Salinas, Adrian; Schweller, Robert; Tomai, Evan; et al (, Springer)
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Demaine, Erik D; Gomez, Timothy; Grizzell, Elise; Hecher, Markus; Lynch, Jayson; Schweller, Robert; Shalaby, Ahmed; Woods, Damien (, Schloss Dagstuhl – Leibniz-Zentrum für Informatik)Seki, Shinnosuke; Stewart, Jaimie Marie (Ed.)Molecular programmers and nanostructure engineers use domain-level design to abstract away messy DNA/RNA sequence, chemical and geometric details. Such domain-level abstractions are enforced by sequence design principles and provide a key principle that allows scaling up of complex multistranded DNA/RNA programs and structures. Determining the most favoured secondary structure, or Minimum Free Energy (MFE), of a set of strands, is typically studied at the sequence level but has seen limited domain-level work. We analyse the computational complexity of MFE for multistranded systems in a simple setting were we allow only 1 or 2 domains per strand. On the one hand, with 2-domain strands, we find that the MFE decision problem is NP-complete, even without pseudoknots, and requires exponential time algorithms assuming SAT does. On the other hand, in the simplest case of 1-domain strands there are efficient MFE algorithms for various binding modes. However, even in this single-domain case, MFE is P-hard for promiscuous binding, where one domain may bind to multiple as experimentally used by Nikitin [Nat Chem., 2023], which in turn implies that strands consisting of a single domain efficiently implement arbitrary Boolean circuits.more » « less
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Anderson, Rachel; Avila, Alberto; Fu, Bin; Gomez, Timothy; Grizzell, Elise; Massie, Aiden; Mukhopadhyay, Gourab; Salinas, Adrian; Schweller, Robert; Tomai, Evan; et al (, Arxiv)
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