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Investigating the role of glycans in Omicron sub-lineages XBB.1.5 and XBB.1.16 binding to host receptor using molecular dynamics and binding free energy calculations.

Jaikee Kumar SinghJai SinghSandeep Kumar Srivastava
Published in: J. Comput. Aided Mol. Des. (2023)
Keyphrases
  • free energy
  • molecular dynamics
  • approximate inference
  • competitive learning
  • three dimensional
  • dynamic programming
  • model selection
  • belief propagation
  • probabilistic inference