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krawutzi - computational chemist
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computational chemist
Forschungszentrum Juelich

Skills and expertise

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

Reviews and Discussions


XenoSite 2017-12-26, 18:45:22
a convenient and fast tool to understand potential toxicophores
UCSF Chimera 2017-11-02, 11:27:20
Very useful and intuitive program, commandline is available and tight integration with python


No discussions...

Fields of interest

Drug design
Builds chemical and biological annotations for Tox21 assay data. Tox21 Enricher…
Determines the antibody resistance for human immunodeficiency virus (HIV)-1.…
Predicts somatic mutation profile-based drug responsiveness by linking the…
MS-based untargeted metabolomics
Consists of a filtering approach for the linear noise approximation (LNA) in…
Consists of a parsimonious charge deconvolution algorithm that produces fewer…
Explains the activity of metabolic modules. Metabolizer takes into account the…
NMR-based proteomics analysis
Automates the elimination of noise peaks. Filt Robot employs convolutional…
Assists users to perform spectra analysis. Dumpling comprises the following…
Predicts absolute per-residue fluctuation from a three-dimensional protein…