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Principal Investigator: Prof. Dr. Andrea Volkamer

University: Charité - Universitätsmedizin Berlin


Research Focus:

  • Method development and application in computer-aided molecular design
  • Structural bioinformatics: Binding site assessment and comparison, pharmacophore elucidation, and analysis of the relationship between protein structure and function
  • Cheminformatics: Virtual screening (structure-activity relationships) and application of machine learning to guide the design of more selective and less toxic compounds
  • Applications in cancer research with focus on kinase structures and selective kinase inhibitors
 
 
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