Training materials
Difficulty level: Intermediate
and Authors: Christine Staiger or David Wishart or Jasper Zuallaert or Korbinian Bösl or Martin Čech or Simon Bray
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hands-on tutorial
AlphaFold and friends on the HPC
•• intermediateProtein structure analysis Machine learning Structure prediction AlphaFold Database (13181) -
Slideshow, Training materials
Prediction of protein structures and complexes with AlphaFold on the HPC
•• intermediateProtein structure analysis Machine learning Structure prediction Structure visualisation Multiple sequence alignment AlphaFold Database (13181) -
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 -
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 -
course materials
Introduction to Persistent Identifiers
•• intermediateData management system relevant metadata for data PID metadata Python API pyhandle Persistent Identifiers