Investigation of Indazole Unbinding Pathways in CYP2E1 by Molecular Dynamics Simulations

• Zhonghua Shen,
• Feixiong Cheng,
• You Xu,
• Jing Fu,
• Wen Xiao,
• Jie Shen,
• Guixia Liu,
• Weihua Li ,

  * E-mail: whli@ecust.edu.cn (WL); ytang234@ecust.edu.cn (YT)

  Affiliation Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science and Technology, Shanghai, China

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• Yun Tang

  * E-mail: whli@ecust.edu.cn (WL); ytang234@ecust.edu.cn (YT)

  Affiliation Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science and Technology, Shanghai, China

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