Training materials
Scientific topics: Computational chemistry or Pattern recognition
and Contributors: Bang Wong or Björn Grüning or Brane Leskosek or Dr. Scooter Morris or Erasmus+ Programme or Frederik Coppens or Jamie Edwards or Manimozhiyan Arumugam or Marek Suchanek or Nicola Mulder or Simon Bray or Software Carpentry or Sonika Tyagi
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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
High Throughput Molecular Dynamics and Analysis
••• advancedComputational 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 -
Text-mining exercises
•• intermediateMicrobial ecology Metagenomics Natural language processing Data mining