Training materials
Difficulty level: Intermediate
and Authors: Evangelos Pafilis or Henrik Nortamo or Jana Broncova or Simon Bray
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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 -
Tutorial
Tutorial on working with computing clusters
•• intermediateHPC -
Documentation, Presentation
ELIXIR AAI Engagement Meetings Materials
•• intermediateComputer science AAI IAM Authentication authorisation -
Tutorial
Tutorial on using MPI with containers
•• intermediateMPI Containers Computer Programming Documentation and help
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