Screening, simulation, and optimization design of small molecule inhibitors of the SARS-CoV-2 spike glycoprotein

• Chuancai Sun ,

  Contributed equally to this work with: Chuancai Sun, Jian Zhang

  Roles Writing – original draft

  Affiliations Department of Nephrology, The First Affiliated Hospital of Shandong First Medical University & Shandong Provincial Qianfoshan Hospital, Jinan, China, Department of Nephrology, Shandong Provincial Qianfoshan Hospital, Shandong University, Jinan, China

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• Jian Zhang ,

  Contributed equally to this work with: Chuancai Sun, Jian Zhang

  Roles Writing – original draft

  Affiliation Institute of Medical Sciences, The Second Hospital, Cheeloo College of Medicine, Shandong University, Jinan, China

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• Jiao Wei,

  Roles Software

  Affiliation Department of Neurosurgery, The First Affiliated Hospital of Shandong First Medical University & Shandong Provincial Qianfoshan Hospital, Jinan, China

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• Xiaoli Zheng,

  Roles Methodology

  Affiliation Department of Emergency, Shandong Provincial Hospital Affiliated to Shandong First Medical University, Jinan, China

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• Xianyang Zhao,

  Roles Writing – original draft

  Affiliations Department of Nephrology, The First Affiliated Hospital of Shandong First Medical University & Shandong Provincial Qianfoshan Hospital, Jinan, China, Department of Nephrology, Shandong Provincial Qianfoshan Hospital, Shandong University, Jinan, China

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• Zengjun Fang,

  Roles Writing – review & editing

  Affiliation Department of Pharmacy, The Second Hospital, Cheeloo College of Medicine, Shandong University, Jinan, China

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• Dongmei Xu,

  Roles Writing – original draft

  Affiliations Department of Nephrology, The First Affiliated Hospital of Shandong First Medical University & Shandong Provincial Qianfoshan Hospital, Jinan, China, Department of Nephrology, Shandong Provincial Qianfoshan Hospital, Shandong University, Jinan, China, Nephrology Research Institute of Shandong Province, Jinan, China

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• Huiqing Yuan ,

  Roles Conceptualization, Data curation

  * E-mail: liuyipeng@sdhospital.com.cn (YL); lyuanhq@sdu.edu.cn (HY)

  Affiliation Institute of Medical Sciences, The Second Hospital, Cheeloo College of Medicine, Shandong University, Jinan, China

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• Yipeng Liu

  Roles Conceptualization, Writing – original draft, Writing – review & editing

  * E-mail: liuyipeng@sdhospital.com.cn (YL); lyuanhq@sdu.edu.cn (HY)

  Affiliations Department of Nephrology, The First Affiliated Hospital of Shandong First Medical University & Shandong Provincial Qianfoshan Hospital, Jinan, China, Department of Nephrology, Shandong Provincial Qianfoshan Hospital, Shandong University, Jinan, China, Nephrology Research Institute of Shandong Province, Jinan, China

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