Training materials
Licence: Creative Commons Attribution 4.0 International
and Scientific topics: Computational chemistry or Data mining or Data security or Electron microscopy or Microbial ecology or Toxicology
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Video
ELIXIR-CONVERGE - The why of research data management
• beginnerData management FAIR data Data submission, annotation, and curation Data security Data integration and warehousing Data Life Cycle Data Steward Data Data access management Data management plan Data managment plan Data handling ELIXIR-CONVERGE -
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
High Throughput Molecular Dynamics and Analysis
••• advancedComputational chemistry -
hands-on tutorial
Running molecular dynamics simulations using NAMD
•• intermediateComputational chemistry -
hands-on tutorial
Setting up molecular systems
•• intermediateComputational chemistry -
Presentation
Practicalities of data handling
• beginnerData security Data acquisition Data management Data handling data encryption data protection setup checksums Data transfer Data storage data organisation
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