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cen rurui

kIT
NANXIN

Skills and expertise

Fields of interest
  • Drug design
  • MS-based untargeted proteomics
  • MS-based untargeted metabolomics
Languages
  • English
Programming languages
  • C#

Favorites and Collections

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MoNA
Dataset

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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…