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Screening of FDA-approved compound library identifies potential small-molecule inhibitors of SARS-CoV-2 non-structural proteins NSP1, NSP4, NSP6 and NSP13: molecular modeling and molecular dynamics studies.

Shobana SundarLokesh ThangamaniShanmughavel PiramanayagamChandrasekar Narayanan RahulNatarajan AiswaryaKanagaraj SekarJeyakumar Natarajan
Published in: Journal of proteins and proteomics (2021)
The online version contains supplementary material available at 10.1007/s42485-021-00067-w.
Keyphrases
  • molecular dynamics
  • small molecule
  • sars cov
  • density functional theory
  • social media
  • genome wide
  • healthcare
  • respiratory syndrome coronavirus
  • health information
  • protein protein
  • human health
  • drug administration