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Leveraging QM/MM and Molecular Dynamics Simulations to Decipher the Reaction Mechanism of the Cas9 HNH Domain to Investigate Off-Target Effects.

Yazdan MaghsoudVindi M. Jayasinghe-ArachchigePratibha KumariG. Andrés CisnerosJin Liu
Published in: J. Chem. Inf. Model. (2023)
Keyphrases
  • molecular dynamics simulations
  • molecular dynamics
  • databases
  • numerical simulations