Benchmarks and results for article "Aptamers without SELEX: de novo design from protein structure in hours"
Dolgusheva, Vladislava; Kudryashova, Nataliya; Mukanov, Artem; Kuznetsov, Ivan; Leibin, Iosif; Manasyan, Artem; Pavlyuk, Gleb; +10 Authors
Dolgusheva, Vladislava; Kudryashova, Nataliya; Mukanov, Artem; Kuznetsov, Ivan; Leibin, Iosif; Manasyan, Artem; Pavlyuk, Gleb; Mishkorez, Ivan; Keremet, Anna; Podlesnyi, Pavel; Kalinkin, Aleksey; Avdeev, Kirill; Kuznetsov, Maxim; Parfenov, Nikita; Gromov, Stanislav; Ufaev, Dmitry; Nasaev, Shamsudin;
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.