Training materials
Difficulty level: Intermediate
and Contributors: Anil S. Thanki or Emily Angiolini or Felix Almonte or Jan Slifka or Lennart Martens or Michael Ball or Simon Bray or Stephen Taylor
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hands-on tutorial
Protein target prediction of a bioactive ligand with Align-it and ePharmaLib
•• intermediateComputational chemistry -
hands-on tutorial
Protein-ligand docking
•• 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 -
hands-on tutorial
Analysis of molecular dynamics simulations
•• intermediateComputational chemistry -
hands-on tutorial
Running molecular dynamics simulations using NAMD
•• intermediateComputational chemistry -
hands-on tutorial
Setting up molecular systems
•• intermediateComputational chemistry -
Documentation, Exercise, Handout, Scripts
PDA19 - Proteomics Data Analysis (2019)
•• intermediateProteomics Biological databases Mass spectrometry data -
Documentation, Exercise, Handout, Scripts
PDA18 - Proteomics Data Analysis (2018)
•• intermediateProteomics Biological databases Mass spectrometry data