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Identification of high affinity and low molecular alternatives of boceprevir against SARS-CoV-2 main protease: A virtual screening approach
SARS-CoV-2 has posed global challenge for healthcare due to COVID-19. The main protease (M(pro)) of this virus is considered as a major target for drug development efforts. In this work, we have used virtual screening approach with molecular dynamics simulations to identify high affinity and low mol...
Autores principales: | Borkotoky, Subhomoi, Banerjee, Manidipa, Modi, Gyan Prakash, Dubey, Vikash Kumar |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Elsevier B.V.
2021
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7892318/ https://www.ncbi.nlm.nih.gov/pubmed/33623170 http://dx.doi.org/10.1016/j.cplett.2021.138446 |
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