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