Research

Multivalent ion binding site identification with structure-based deep learning — Kozlovskii, I.; Popov, P. Communications Biology 9, 1039 (2026). 10.1038/s42003-026-10659-1 article Adapted, CC BY 4.0.

Computational methods for binding site prediction on macromolecules — Kozlovskii, I.; Popov, P. Quarterly Reviews of Biophysics 58, e12 (2025). 10.1017/S003358352500006X review

Approaching Optimal pH Enzyme Prediction with Large Language Models — Zaretckii, M.; Buslaev, P.; Kozlovskii, I.; Morozov, A.; Popov, P. ACS Synthetic Biology 13(9), 3013–3021 (2024). 10.1021/acssynbio.4c00465 article
Unraveling viral drug targets: a deep learning-based approach for the identification of potential binding sites — Popov, P.; Kalinin, R.; Buslaev, P.; Kozlovskii, I.; Zaretckii, M.; Karlov, D.; et al. Briefings in Bioinformatics 25(1), bbad459 (2024). 10.1093/bib/bbad459 article
A community effort in SARS-CoV-2 drug discovery — Schimunek, J.; Seidl, P.; Elez, K.; Hempel, T.; Le, T.; Noe, F.; … Kozlovskii, I.; … Hermans, T. M. Molecular Informatics 43(1), e202300262 (2024). 10.1002/minf.202300262 article

Structure-based deep learning for binding site detection in nucleic acid macromolecules — Kozlovskii, I.; Popov, P. NAR Genomics and Bioinformatics 3(4), lqab111 (2021). 10.1093/nargab/lqab111 article
Protein-Peptide Binding Site Detection Using 3D Convolutional Neural Networks — Kozlovskii, I.; Popov, P. Journal of Chemical Information and Modeling 61(8), 3814–3823 (2021). 10.1021/acs.jcim.1c00475 article

Spatiotemporal identification of druggable binding sites using deep learning — Kozlovskii, I.; Popov, P. Communications Biology 3, 618 (2020). 10.1038/s42003-020-01350-0 article Adapted, CC BY 4.0.

Computational design for thermostabilization of GPCRs — Popov, P.; Kozlovskii, I.; Katritch, V. Current Opinion in Structural Biology 55, 25–33 (2019). 10.1016/j.sbi.2019.02.010 review