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daniil-a-baranov/README.md

Daniil A. Baranov

PhD candidate | Computational structural biology and experimental validation

Computational structural biologist with wet-lab validation experience. I use AI-driven modelling and Molecular Dynamics (MD) simulations to analyse complex protein-protein interactions (PPIs), design binders for challenging targets, including GPCRs and proteins involved in neurodegenerative disorders, and test these in silico predictions with functional cell-based and biophysical assays.

In short: I build computational hypotheses and test them experimentally.


Toolkit

Computational

Structure prediction MD simulations System assembly Interaction fingerprints Binding free energy Fragment scanning Data analysis Shell / HPC Reproducibility Visualisation

Experimental

Cell assays Protein production Cell culture Purification NanoDSF Molecular biology


Currently

  • PhD thesis submitted; viva scheduled for 2 July 2026 (Newcastle University)
  • Open to industry and academic roles applying computational structural biology and experimental validation to drug discovery

Selected publications

  • Baranov, D., …, Bronowska, A.K., & Audsley, N. Structure-based design and validation of neuropeptide agonists targeting the Class A Allatostatin C receptor. (Manuscript in preparation)
  • Nguyen, T.T., … Baranov, D., … & Antelmann, H. (2026) Structural basis of quinone-sensing by the MarR-type repressor MhqR in Staphylococcus aureus*.* mBio 17, e03292-25. DOI
  • Al-Rawe, S.K., Baranov, D., Bronowska, A.K., Cano, C., Carroll, M.A., & Waddell, P.G. (2024) Polymorphism in N-(3-Hydroxyphenyl)-3-methoxybenzamide. Crystals, 14, 1070. DOI
  • Catchpole, Z., … Baranov, D., … & Erskine, D. Neuropathology-driven drug discovery: rapamycin rescues cell death induced by lysosulphatide in metachromatic leukodystrophy. (Submitted, Acta Neuropathologica)
  • Risiglione, P., … Baranov, D., … & Muqit, M.M.K. Mitochondrial function is preserved in vivo despite defective GCase activity. (Manuscript in preparation)

Connect

ORCID LinkedIn Email

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