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Structural insights into inhibition of PRRSV Nsp4 revealed by structure-based virtual screening, molecular dynamics, and MM-PBSA studies.

Rajesh Kumar PathakYoung-Jun SeoJun-Mo Kim
Published in: Journal of biological engineering (2022)
These methods identified that these natural compounds are capable of inhibiting Nsp4 and possibly effective as antiviral therapeutics against PRRSV.
Keyphrases
  • molecular dynamics
  • density functional theory
  • signaling pathway
  • small molecule
  • case control