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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.
Maghsoud, Yazdan; Jayasinghe-Arachchige, Vindi M; Kumari, Pratibha; Cisneros, G Andrés; Liu, Jin.
Afiliação
  • Maghsoud Y; Department of Chemistry and Biochemistry, University of Texas at Dallas, Richardson, Texas 75080, United States.
  • Jayasinghe-Arachchige VM; Department of Pharmaceutical Sciences, University of North Texas System College of Pharmacy, University of North Texas Health Science Center, Fort Worth, Texas 76107, United States.
  • Kumari P; Department of Pharmaceutical Sciences, University of North Texas System College of Pharmacy, University of North Texas Health Science Center, Fort Worth, Texas 76107, United States.
  • Cisneros GA; Department of Chemistry and Biochemistry, University of Texas at Dallas, Richardson, Texas 75080, United States.
  • Liu J; Department of Physics, University of Texas at Dallas, Richardson, Texas 75080, United States.
J Chem Inf Model ; 63(21): 6834-6850, 2023 11 13.
Article em En | MEDLINE | ID: mdl-37877218
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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Simulação de Dinâmica Molecular / Sistemas CRISPR-Cas Idioma: En Ano de publicação: 2023 Tipo de documento: Article
Texto completo
Imprimir
XML
PubMed Links
Buscar no Google

Texto completo: 1 Base de dados: MEDLINE Assunto principal: Simulação de Dinâmica Molecular / Sistemas CRISPR-Cas Idioma: En Ano de publicação: 2023 Tipo de documento: Article