Highly accurate protein structure prediction-based virtual docking pipeline accelerating the identification of anti-schistosomal compounds

• Wenjun Cheng ,

  Contributed equally to this work with: Wenjun Cheng, Mengjie Gu

  Roles Data curation, Formal analysis, Investigation, Methodology, Resources, Validation, Visualization, Writing – original draft

  Affiliation State Key Laboratory of Genetics and Development of Complex Phenotypes, Ministry of Education Key Laboratory of Contemporary Anthropology, School of Life Sciences, Fudan University, Shanghai, China

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• Mengjie Gu ,

  Contributed equally to this work with: Wenjun Cheng, Mengjie Gu

  Roles Data curation, Formal analysis, Investigation, Methodology, Resources, Visualization, Writing – original draft

  Affiliation State Key Laboratory of Genetics and Development of Complex Phenotypes, Ministry of Education Key Laboratory of Contemporary Anthropology, School of Life Sciences, Fudan University, Shanghai, China

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• Yuepeng Wang,

  Roles Formal analysis, Methodology, Resources

  Affiliation State Key Laboratory of Genetics and Development of Complex Phenotypes, Ministry of Education Key Laboratory of Contemporary Anthropology, School of Life Sciences, Fudan University, Shanghai, China

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• Jing Wang,

  Roles Resources

  Affiliation College of Life Sciences, Inner Mongolia University, Hohhot, Inner Mongolia Autonomous Region, China

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• Shan Li,

  Roles Resources

  Affiliation State Key Laboratory of Genetics and Development of Complex Phenotypes, Ministry of Education Key Laboratory of Contemporary Anthropology, School of Life Sciences, Fudan University, Shanghai, China

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• Gongwen Chen,

  Roles Resources

  Affiliation State Key Laboratory of Genetics and Development of Complex Phenotypes, Ministry of Education Key Laboratory of Contemporary Anthropology, School of Life Sciences, Fudan University, Shanghai, China

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• Xu Chen,

  Roles Resources

  Affiliation State Key Laboratory of Genetics and Development of Complex Phenotypes, Ministry of Education Key Laboratory of Contemporary Anthropology, School of Life Sciences, Fudan University, Shanghai, China

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• Oyetunde T. Oyeyemi,

  Roles Methodology, Writing – review & editing

  Affiliation Department of Biosciences and Biotechnology, University of Medical Sciences, Ondo City, Ondo State, Nigeria

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• Yang Hong,

  Roles Conceptualization, Writing – review & editing

  Affiliation National Institute of Parasitic Diseases, Chinese Center for Disease Control and Prevention (Chinese Center for Tropical Diseases Research), NHC Key Laboratory of Parasite and Vector Biology, WHO Collaborating Center for Tropical Diseases, National Center for International Research on Tropical Diseases, Shanghai, China

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• Wei Hu ,

  Roles Conceptualization, Funding acquisition, Project administration, Supervision, Writing – review & editing

  * E-mail: huw@fudan.edu.cn (WH); jipengwang@fudan.edu.cn (JW)

  Affiliations State Key Laboratory of Genetics and Development of Complex Phenotypes, Ministry of Education Key Laboratory of Contemporary Anthropology, School of Life Sciences, Fudan University, Shanghai, China, College of Life Sciences, Inner Mongolia University, Hohhot, Inner Mongolia Autonomous Region, China

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• Jipeng Wang

  Roles Conceptualization, Funding acquisition, Project administration, Resources, Supervision, Writing – review & editing

  * E-mail: huw@fudan.edu.cn (WH); jipengwang@fudan.edu.cn (JW)

  Affiliation State Key Laboratory of Genetics and Development of Complex Phenotypes, Ministry of Education Key Laboratory of Contemporary Anthropology, School of Life Sciences, Fudan University, Shanghai, China

  https://orcid.org/0000-0003-0107-424X

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