Training materials
Target audience: Students
and Scientific topics: Computational chemistry or Metabolomics or Protein interactions or Protein modifications
-
hands-on tutorial
Mass spectrometry: GC-MS data processing (with XCMS, RAMClustR, RIAssigner, and matchms)
•• intermediateMetabolomics -
hands-on tutorial
Mass spectrometry: LC-MS preprocessing with XCMS
•• intermediateMetabolomics -
hands-on tutorial
Mass spectrometry imaging: Finding differential analytes
•• intermediateMetabolomics -
hands-on tutorial
Mass spectrometry : GC-MS analysis with metaMS package
• beginnerMetabolomics -
hands-on tutorial
Mass spectrometry: LC-MS data processing
• beginnerMetabolomics -
hands-on tutorial
Mass spectrometry imaging: Examining the spatial distribution of analytes
• beginnerMetabolomics -
hands-on tutorial
Protein-ligand docking
•• intermediateComputational chemistry -
hands-on tutorial
Protein target prediction of a bioactive ligand with Align-it and ePharmaLib
•• intermediateComputational chemistry -
hands-on tutorial
Hands-on for 'Virtual screening of the SARS-CoV-2 main protease with rxDock and pose scoring' tutorial
•• intermediatecomputational-chemistry covid19 one-health -
hands-on tutorial
Running molecular dynamics simulations using GROMACS
•• intermediateComputational chemistry
- 1
- 2