Towards the discovery of molecules with anti-COVID-19 activity: Relationships between screening and docking results

The study presents the results of a combined approach to the theoretical description of potential antiviral activity against COVID-19. We found that pharmacophore screening based on limited experimental data on "protein-ligand" binding complexes might have low predictive ability. Therefore...

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Bibliographic Details
Main Authors: Dmytro Anokhin, Sergiy Kovalenko, Pavlo Trostianko, Alexander Kyrychenko, Anton Zakharov, Tetiana Zubatiuk, Volodymyr Ivanov, Oleg Kalugin
Format: Article
Language:English
Published: V. N. Karazin Kharkiv National University 2024-06-01
Series:Вісник Харківського національного університету: Серія xімія
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Online Access:https://periodicals.karazin.ua/chemistry/article/view/24524
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