Search for β₂ Adrenergic Receptor Ligands by Virtual Screening via Grid Computing and Investigation of Binding Modes by Docking and Molecular Dynamics Simulations

• Qifeng Bai,

  Affiliations Department of Chemistry, Lanzhou University, Lanzhou, China, School of Basic Medical Sciences, Lanzhou University, Lanzhou, China

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• Yonghua Shao,

  Affiliation Department of Chemistry, Lanzhou University, Lanzhou, China

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• Dabo Pan,

  Affiliation Department of Chemistry, Lanzhou University, Lanzhou, China

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• Yang Zhang,

  Affiliation School of Information Science & Engineering, Lanzhou University, Lanzhou, China

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• Huanxiang Liu,

  Affiliation School of Pharmacy, Lanzhou University, Lanzhou, China

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• Xiaojun Yao

  * E-mail: xjyao@lzu.edu.cn

  Affiliations Department of Chemistry, Lanzhou University, Lanzhou, China, State Key Laboratory of Quality Research in Chinese Medicine, Macau Institute for Applied Research in Medicine and Health, Macau University of Science and Technology, Taipa, Macau, China

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