Benchmarks and results for article "Aptamers without SELEX: de novo design from protein structure in hours"
Benchmarks and results for article "Aptamers without SELEX: de novo design from protein structure in hours"
This deposit contains the validation and test datasets supporting the manuscript "Aptamers without SELEX: de novo design from protein structure in hours" (Xelari, Inc.). The data accompany the Xelari computational pipeline for de novo DNA and RNA aptamer design from protein 3D structure. Contents xelari-valid-2026.zip - validation data and results for AliNA, DiNA, Edgar, Ehrlich, ValentiNA modules. Experimental binding affinities for the three Treponema pallidum aptamers (Tpp17, Tpp47, Tp0751) designed end-to-end by the pipeline are reported in the companion wet-lab study (Bruno et al., J. Fluoresc. 2026, DOI: 10.1007/s10895-026-04717-4). Funded by Xelari, Inc. No external funding.
computational aptamer design, de novo design, Aptamers, Nucleotide/classification, SELEX-free
computational aptamer design, de novo design, Aptamers, Nucleotide/classification, SELEX-free
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