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Quantum chemical and well-tempered metadynamics study to design adenine analogs for orthogonal Preq1 riboswitch.

Kalyanashis JanaPadmaja D WakchaureShibaji GhoshTusar BandyopadhyayBishwajit Ganguly
Published in: Journal of biomolecular structure & dynamics (2019)
Communicated by Ramaswamy H. Sarma.
Keyphrases
  • molecular dynamics
  • molecular docking
  • monte carlo