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csbarak/README.md

Laboratory of Protein and Nucleic Acid Chemistry

The Akabayov Lab integrates experimental biochemistry, structural biology, and artificial intelligence to study molecular recognition in DNA replication and RNA-targeting systems. Our work focuses on developing data-driven approaches for antibacterial and RNA-targeted drug discovery, including machine learning models, cheminformatics pipelines, molecular docking workflows, and interpretable AI tools. By combining biochemical assays with computational screening and molecular descriptors, the lab aims to identify new inhibitors, understand structure-activity relationships, understand specific DNA-protein recognition, and accelerate the design of biologically active small molecules.

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  1. primroseLightning primroseLightning Public

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  2. MolOpt_Students_2023 MolOpt_Students_2023 Public

    JavaScript 5

  3. Vanalyzer Vanalyzer Public

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  4. DnaG_inhibitors DnaG_inhibitors Public

    Jupyter Notebook

  5. POC POC Public

    Machine learning for scalable virtual screening

    Jupyter Notebook

  6. PTCinhibitors PTCinhibitors Public

    Python