E. D. Kadtsyn

Часть публикаций из профиля, по году от новых к старым. Это не полный список последних работ автора; работы без года — в конце.

• Volumetric properties of aqueous solutions of small monohydric alcohols. Molecular dynamics simulation2025
• Does the Composition of the Surrounding Solution Affect the Structure and Stability of the Protein Complex with a Ligand? A Molecular Dynamics Study2025 · аннотациясвернуть

  Abstract The 3D structure of proteins and protein–ligand complexes is determined by protein crystallography methods. In order to make the protein precipitate and prepare a complex, additional substances, including…

• Computer Aided Structure-Based Drug Design of Novel SARS-CoV-2 Main Protease Inhibitors: Molecular Docking and Molecular Dynamics Study2024 · аннотациясвернуть

  Severe acute respiratory syndrome Coronavirus 2 (SARS-CoV-2) virus syndrome caused the recent outbreak of COVID-19 disease, the most significant challenge to public health for decades. Despite the successful development…

• Mutual Adjacency of Components Molecules in Aqueous TBA and TMAO Solutions2024
• New Approach to the Study of Association in Solutions2023
• SIMPLE METHOD TO MODIFY FORCE FIELDS FOR THE MOLECULAR DYNAMICS SIMULATION OF AQUEOUS ALCOHOL SOLUTIONS2022
• Volumetric properties of solutions on the perspective of Voronoi tessellation2021
• USING VORONOI DIAGRAMS TO INTERPRET BULK PROPERTIES OF SOLUTIONS2021