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Michael Krug - Computational Chemist
Open to new opportunities
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Open to new opportunities

Michael Krug

Computational Chemist
Merck (Germany) • Darmstadt • Germany

Skills and expertise

Fields of interest
  • Drug design
  • MS-based untargeted proteomics
  • MS-based untargeted metabolomics
Languages
  • German
Programming languages
  • Javascript

Fields of interest

Drug design
Handles three-dimensional macromolecular data. LiteMol allows users to…
Assists users with virtual screening. BindScope is a web GPU-accelerated…
Serves as a Chembench module for quantitative structure-activity relationship…
MS-based untargeted proteomics
Provides a reproducible pipeline to analyse isobarically labelled mass…
Predicts liquid chromatography (LC) retention behavior of molecules. ‘retention…
Allows protein identification with robust peptide mass fingerprinting (PMF)…
MS-based untargeted metabolomics
Identifies metabolites from untargeted liquid chromatography-mass spectrometry…
Provides a web server of in silico metabolization of metabolites. MetWork is an…
Measures parsimonious metabolic networks for generating metabolites. GridProd…