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Prof. Dr. Andrea Volkamer: In silico toxicology and struc­tural bioin­for­matics

Bundesland: Berlin

Stadt: Berlin

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