Conformational dynamics and energetics of viral RNA recognition by lab-evolved proteins.

Academic Article


  • The conserved and structured elements in viral RNA genomes interact with proteins to regulate various events in the viral life cycle and have become key targets for developing novel therapeutic approaches. We probe physical interactions between lab-evolved proteins and a viral RNA element from the HIV-1 genome. Specifically, we study the role of an arginine-rich loop in recognition of designed proteins by the viral RNA element. We report free energy calculations to quantitatively estimate the protein/RNA binding energetics, focusing on the mutations of arginine residues involved in recognition of the major groove of RNA by proteins.
  • Authors

  • Kumar, Amit
  • Vashisth, Harish
  • Publication Date

  • November 10, 2021
  • Published In


  • Arginine
  • Molecular Dynamics Simulation
  • Nucleic Acid Conformation
  • RNA, Viral
  • RNA-Binding Proteins
  • Digital Object Identifier (doi)

    Start Page

  • 24773
  • End Page

  • 24779
  • Volume

  • 23
  • Issue

  • 43