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  1. 2026

  2. Decoding the Blood-Brain Barrier: Innovative and Scalable Open-Source Machine Learning Model for Drug Permeability

    Исакова, А. М., Шкиль, Д. & Стешин, И., 13 Mar 2026, (E-pub ahead of print) In: Current Neuropharmacology.

    Research output: Contribution to journal › Article › peer-review

  3. EV235 NEUROCLICK: SOFTWARE FOR MIMICKING CLICK REACTION TO GENERATE DRUG-LIKE MOLECULES PERMEATING THE BLOOD-BRAIN BARRIER

    Шитяков, С., Исакова, А. М., Коваленко, А. & Скорб, Е., Jan 2026, In: Neuromodulation. 29, 1, S158.

    Research output: Contribution to journal › Meeting Abstract › peer-review

  4. 2024

  5. Accessible and reliable machine learning models for the blood-brain barrier permeability assessment

    Исакова, А. М., Шкиль, Д., Стешин, И. & Шитяков, С., 2024, XIII Конгресс молодых ученых ИТМО: Сборник тезисов докладов конгресса молодых ученых.

    Research output: Chapter in Book/Report/Conference proceeding › Conference abstracts › Research › peer-review

  6. Fabrication of Biocidal Materials Based on the Molecular Interactions of Tetracycline and Quercetin with Hydroxyapatite via In Silico and In Vitro Approaches

    Исакова, А. М., Кутырев, М., Кудашева, А., Жуков, М., Рогачева, Е., Краева, Л., Шитяков, С., Уласевич, С. & Скорб, Е., 2024, In: Heliyon. 11, 1, e41064.

    Research output: Contribution to journal › Article › peer-review

  7. NeuroClick: Advanced Software for Designing Blood-Brain Barrier-Permeable Drugs Using Click Reaction Simulations

    Исакова, А. М., Шитяков, С. & Скорб, Е., 2024, In: Current Protocols in Bioinformatics. 4, e70050.

    Research output: Contribution to journal › Article › peer-review

  8. NeuroClick: Software for Mimicking Click Reaction to Generate Drug-Like Molecules Permeating the Blood–Brain Barrie

    Исакова, А. М., Коваленко, А., Шитяков, С. & Скорб, Е., 2024, In: Future Medicinal Chemistry. 16, 5, p. 389-398

    Research output: Contribution to journal › Article › peer-review

  9. 2023

  10. An application for the analysis of pharmacological activity of chemical compounds using cheminformatics methods

    Исакова, А. М., Коваленко, А. & Шитяков, С., 2023, XII Конгресс молодых ученых ИТМО: Сборник тезисов докладов конгресса молодых ученых.

    Research output: Chapter in Book/Report/Conference proceeding › Conference abstracts › Research › peer-review

  11. BACTERICIDIAL POWDERS BASED ON HYDROXYAPATITE FOR BIOCOMPATIBLE MATERIALS

    Кутырев, М., Исакова, А. М. & Уласевич, С., 2023, XII Конгресс молодых ученых ИТМО: Сборник тезисов докладов конгресса молодых ученых.. НИУ ИТМО

    Research output: Chapter in Book/Report/Conference proceeding › Conference abstracts › Research › peer-review

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