A composite docking approach for the identification and characterization of ectosteric inhibitors of cathepsin K

• Simon Law,

  Roles Conceptualization, Formal analysis, Investigation, Methodology, Validation, Visualization, Writing – original draft, Writing – review & editing

  Affiliations Department of Biochemistry and Molecular Biology, Faculty of Medicine, University of British Columbia, Vancouver, British Columbia, Canada, Centre for Blood Research, University of British Columbia, Vancouver, British Columbia, Canada

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• Preety Panwar,

  Roles Investigation, Validation

  Affiliations Centre for Blood Research, University of British Columbia, Vancouver, British Columbia, Canada, Department of Oral Biological and Medical Sciences, Faculty of Dentistry, University of British Columbia, Vancouver, British Columbia, Canada

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• Jody Li,

  Roles Investigation, Validation

  Affiliations Centre for Blood Research, University of British Columbia, Vancouver, British Columbia, Canada, Department of Oral Biological and Medical Sciences, Faculty of Dentistry, University of British Columbia, Vancouver, British Columbia, Canada

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• Adeleke H. Aguda,

  Roles Conceptualization, Investigation, Writing – review & editing

  Affiliation Department of Biochemistry and Molecular Biology, Faculty of Medicine, University of British Columbia, Vancouver, British Columbia, Canada

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• Andrew Jamroz,

  Roles Investigation, Validation

  Affiliations Centre for Blood Research, University of British Columbia, Vancouver, British Columbia, Canada, Department of Oral Biological and Medical Sciences, Faculty of Dentistry, University of British Columbia, Vancouver, British Columbia, Canada

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• Rafael V. C. Guido,

  Roles Formal analysis, Methodology, Resources

  Affiliation Centro de Inovação em Biodiversidade e Fármacos, Instituto de Física de São Carlos, Universidade de São Paulo, São Carlos, Brazil

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• Dieter Brömme

  Roles Conceptualization, Formal analysis, Funding acquisition, Investigation, Project administration, Supervision, Writing – original draft, Writing – review & editing

  * E-mail: dbromme@dentistry.ubc.ca

  Affiliations Department of Biochemistry and Molecular Biology, Faculty of Medicine, University of British Columbia, Vancouver, British Columbia, Canada, Centre for Blood Research, University of British Columbia, Vancouver, British Columbia, Canada, Department of Oral Biological and Medical Sciences, Faculty of Dentistry, University of British Columbia, Vancouver, British Columbia, Canada

  http://orcid.org/0000-0003-0517-5224

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