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A computational essential dynamics approach to investigate structural influences of ligand binding on Papain like protease from SARS-CoV-2.

Ekampreet SinghRajat Kumar JhaRameez Jabeer KhanAnkit KumarMonika JainJayaraman MuthukumaranAmit Kumar Singh
Published in: Comput. Biol. Chem. (2022)
Keyphrases
  • drug design
  • structural information
  • hiv protease
  • dynamic model
  • high throughput
  • data sets
  • neural network
  • lower bound
  • dynamical systems
  • binding sites
  • public health
  • structural analysis
  • quantitative structure activity