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Docking and molecular dynamics simulations in potential drugs discovery: An application to influenza virus M2 protein

Bozdaganyan M.E.

Дата публикации: 2021-04-27

Дата публикации в реестре: 2021-10-05T18:23:29Z

Аннотация:
Ключевые слова:
Amines, Antiviral agents, Binding energy, Biological membranes, Complexation, Free energy, Integration, Ligands, Molecular modeling, Proteins, Protons, Thermodynamics, Viruses, Amantadine, Free-energy calculations, Molecular dynamics simulations, Omeprazole, Protein-ligand complexes, Rimantadine, Thermodynamic integration, Thermodynamic integration methods, Molecular dynamics, amantadine, influenza virus M2 protein, omeprazole, rimantadine, unclassified drug, virus protein, Article, binding affinity, drug design, geometry, hydrogen bond, ligand binding, molecular docking, molecular dynamics, protein structure, simulation, thermodynamics, Orthomyxoviridae

Тип: info:eu-repo/semantics/journal-article

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