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Structure-based design of promising natural products to inhibit thymidylate kinase from Monkeypox virus and validation using free energy calculations
Monkeypox (MPXV) is a globally growing public health concern with 80,328 active cases and 53 deaths have been reported. No specific vaccine or drug is available for the treatment of MPXV. Hence, the current study also employed structure-based drug designing, molecular simulation, and free energy cal...
Autores principales: | Khan, Abbas, Adil, Shoaib, Qudsia, Hafiza Ayesha, Waheed, Yasir, Alshabrmi, Fahad M., Wei, Dong-Qing |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Elsevier Ltd.
2023
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10029349/ https://www.ncbi.nlm.nih.gov/pubmed/36966556 http://dx.doi.org/10.1016/j.compbiomed.2023.106797 |
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