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krawutzi - computational chemist
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krawutzi

computational chemist
Forschungszentrum Juelich

Skills and expertise

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

Reviews and Discussions

LATEST REVIEWS

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

LATEST DISCUSSIONS

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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…