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Mireille Krier - Medicinal Chemoinformatican
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Mireille Krier

Medicinal Chemoinformatican
Merck KGaA • Darmstadt • Germany

Skills and expertise

Fields of interest
  • Drug design
  • MS-based untargeted metabolomics
  • NMR-based proteomics analysis
  • English
  • French
  • German
Programming languages
  • Python

Fields of interest

Drug design
Offers a way to explore several chemical spaces through virtual reality (VR).…
Offers a method dedicated to drugs classification. KRL proposes an approach…
Provides a native interface to the GROMACS molecular dynamics (MD) engine.…
MS-based untargeted metabolomics
Assists users for the enumeration of flux top (FTs). FTA is a mathematical…
Automates the discovery of chemical organizations, and conducts a quantitative…
Assesses the relationships between metabolites in an untargeted metabolomics…
NMR-based proteomics analysis
Assists users to perform spectra analysis. Dumpling comprises the following…
Automates the elimination of noise peaks. Filt Robot employs convolutional…
Performs general ensemble-based validation step and a simple and…