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  1. 2025

  2. Does the Composition of the Surrounding Solution Affect the Structure and Stability of the Protein Complex with a Ligand? A Molecular Dynamics Study

    Vedkal, A. V. & Kadtsyn, E. D., 9 Oct 2025, In: Journal of Structural Chemistry. 66, 9, p. 1959-1976 18 p.

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

  3. Volumetric properties of aqueous solutions of small monohydric alcohols. Molecular dynamics simulation

    Nichiporenko, V. A., Kadtsyn, E. D. & Medvedev, N. N., 1 Apr 2025, In: Journal of Molecular Liquids. 423, 127005.

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

  4. 2024

  5. Computer Aided Structure-Based Drug Design of Novel SARS-CoV-2 Main Protease Inhibitors: Molecular Docking and Molecular Dynamics Study

    Kolybalov, D. S., Kadtsyn, E. D. & Arkhipov, S. G., Jan 2024, In: Computation. 12, 1, 18.

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

  6. Mutual Adjacency of Components Molecules in Aqueous TBA and TMAO Solutions

    Nichiporenko, V. A., Kadtsyn, E. D. & Medvedev, N. N., Jan 2024, In: Journal of Structural Chemistry. 65, 1, p. 149-159 11 p.

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

  7. 2023

  8. New Approach to the Study of Association in Solutions

    Nichiporenko, V. A., Kadtsyn, E. D. & Medvedev, N. N., Aug 2023, In: Journal of Structural Chemistry. 64, 8, p. 1380-1390 11 p.

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

  9. Анализ активности и специфичности рационально сконструированных вариантов белка CAS9 ИЗ Streptococcus pyogenes

    Вохтанцев, И. П., Кадцын, Е. Д., Аманова, М. М., Бакулина, А. Ю. & Жарков, Д. О., 2023, БИОКАТАЛИЗ. ФУНДАМЕНТАЛЬНЫЕ ИССЛЕДОВАНИЯ И ПРИМЕНЕНИЯ: Тезисы докладов 13-ой Международной научной конференции. Москва: ООО "АДМИРАЛ ПРИНТ", p. 57 1 p.

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

  10. 2022

  11. Simple method to modify force fields for the molecular dynamics simulation of aqueous solutions

    Nichiporenko, V. A., Kadtsyn, E. D. & Medvedev, N. N., Nov 2022, In: Journal of Structural Chemistry. 63, 11, p. 1802-1810 9 p.

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

  12. Basic Cheminformatics Course for First-Year Chemistry Students

    Kadtsyna, A. S., Chubarov, A. S. & Kadtsyn, E. D., 9 Aug 2022, In: Journal of Chemical Education. 99, 8, p. 2932-2942 11 p.

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

  13. Volumetric properties of solutions on the perspective of Voronoi tessellation

    Kadtsyn, E. D., Nichiporenko, V. A. & Medvedev, N. N., 1 Mar 2022, In: Journal of Molecular Liquids. 349, 118173.

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

  14. 2021

  15. Using Voronoi diagrams to interpret bulk properties of solutions

    Kadtsyn, E. D., Nichiporenko, V. A. & Medvedev, N. N., Jan 2021, In: Journal of Structural Chemistry. 62, 1, p. 58-69 12 p.

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

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