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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 Maghsoud, Vindi M. Jayasinghe-Arachchige, Pratibha Kumari, G. Andrés Cisneros, Jin Liu 0005. Leveraging QM/MM and Molecular Dynamics Simulations to Decipher the Reaction Mechanism of the Cas9 HNH Domain to Investigate Off-Target Effects. Journal of Chemical Information and Computer Sciences, 63(21):6834-6850, November 2023. [doi]

Authors

Yazdan Maghsoud

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Vindi M. Jayasinghe-Arachchige

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Pratibha Kumari

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G. Andrés Cisneros

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Jin Liu 0005

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