Structure-based drug repositioning explains ibrutinib as VEGFR2 inhibitor

• Melissa F. Adasme ,

  Contributed equally to this work with: Melissa F. Adasme, Daniele Parisi

  Roles Conceptualization, Data curation, Investigation, Methodology, Project administration, Software, Validation, Visualization, Writing – original draft, Writing – review & editing

  Affiliation Biotechnology Center (BIOTEC), Technische Universität Dresden, Dresden, Germany

  http://orcid.org/0000-0003-2217-4629

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• Daniele Parisi ,

  Contributed equally to this work with: Melissa F. Adasme, Daniele Parisi

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

  Affiliation ESAT-STADIUS, KU Leuven, Heverlee, Belgium

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• Kristien Van Belle,

  Roles Formal analysis, Investigation, Methodology, Validation

  Affiliation Interface Valorisation Platform (IVAP), KU Leuven, Leuven, Belgium

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• Sebastian Salentin,

  Roles Methodology, Software

  Affiliation Biotechnology Center (BIOTEC), Technische Universität Dresden, Dresden, Germany

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• V. Joachim Haupt,

  Roles Methodology, Resources, Software

  Affiliations Biotechnology Center (BIOTEC), Technische Universität Dresden, Dresden, Germany, PharmAI GmbH, Dresden, Germany

  http://orcid.org/0000-0003-0547-1285

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• Gary S. Jennings,

  Roles Investigation, Validation

  Affiliation Biotechnology Center (BIOTEC), Technische Universität Dresden, Dresden, Germany

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• Jörg-Christian Heinrich,

  Roles Methodology, Validation

  Affiliation Biotechnology Center (BIOTEC), Technische Universität Dresden, Dresden, Germany

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• Jean Herman,

  Roles Methodology, Validation

  Affiliations Interface Valorisation Platform (IVAP), KU Leuven, Leuven, Belgium, Laboratory of Molecular Immunology (Rega institute), KU Leuven, Leuven, Belgium, Department of Pediatric Nephrology and Solid Organ Transplantation, University Hospitals Leuven, Leuven, Belgium

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• Ben Sprangers,

  Roles Methodology, Validation

  Affiliations Interface Valorisation Platform (IVAP), KU Leuven, Leuven, Belgium, Laboratory of Molecular Immunology (Rega institute), KU Leuven, Leuven, Belgium, Department of Nephrology, University Hospitals Leuven, Leuven, Belgium

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• Thierry Louat,

  Roles Methodology, Validation

  Affiliation Interface Valorisation Platform (IVAP), KU Leuven, Leuven, Belgium

  http://orcid.org/0000-0002-3920-2916

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• Yves Moreau,

  Roles Supervision

  Affiliation ESAT-STADIUS, KU Leuven, Heverlee, Belgium

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• Michael Schroeder

  Roles Conceptualization, Formal analysis, Project administration, Resources, Supervision, Writing – review & editing

  * E-mail: michael.schroeder@tu-dresden.de

  Affiliation Biotechnology Center (BIOTEC), Technische Universität Dresden, Dresden, Germany

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