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Works (7)

Molecular Docking of Endolysins for Studying Peptidoglycan Binding Mechanism

Molecules
2024-11-15 | Journal article
DOI: 10.3390/molecules29225386
Contributors: Arina G. Arakelian; Gennady N. Chuev; Timur V. Mamedov
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The Three-Dimensional Reference Interaction Site Model Approach as a Promising Tool for Studying Hydrated Viruses and Their Complexes with Ligands

International Journal of Molecular Sciences
2024-03-26 | Journal article
DOI: 10.3390/ijms25073697
Contributors: Marina V. Fedotova; Gennady N. Chuev
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Protein 3D Hydration: A Case of Bovine Pancreatic Trypsin Inhibitor

International Journal of Molecular Sciences
2022-11-26 | Journal article
DOI: 10.3390/ijms232314785
Contributors: Sergey E. Kruchinin; Ekaterina E. Kislinskaya; Gennady N. Chuev; Marina V. Fedotova
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Molecular-based analysis of nanoparticle solvation: Classical density functional approach

The Journal of Chemical Physics
2022-11-14 | Journal article
DOI: 10.1063/5.0128817
Contributors: Gennady Chuev; Mohammadhasan Dinpajooh; Marat Valiev
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Site Density Functional Theory and Structural Bioinformatics Analysis of the SARS-CoV Spike Protein and hACE2 Complex

Molecules
2022-01-26 | Journal article
DOI: 10.3390/molecules27030799
Contributors: Nitesh Kumawat; Andrejs Tucs; Soumen Bera; Gennady N. Chuev; Marat Valiev; Marina V. Fedotova; Sergey E. Kruchinin; Koji Tsuda; Adnan Sljoka; Amit Chakraborty
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Renormalized site density functional theory for models of ion hydration

The Journal of Chemical Physics
2021-08-14 | Journal article
DOI: 10.1063/5.0060249
Contributors: Gennady N. Chuev; Marina V. Fedotova; Marat Valiev
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Chemical bond effects in classical site density functional theory of inhomogeneous molecular liquids

The Journal of Chemical Physics
2020-01-31 | Journal article
DOI: 10.1063/1.5139619
Contributors: Gennady N. Chuev; Marina V. Fedotova; Marat Valiev
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