Training materials
Difficulty level: Intermediate
and Authors: Jan Slifka or Jared Simpson or Samaha, Georgina (orcid: 0000-0003-0419-1476) or Simon Bray or Steve Crouch or allegra.via Via
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podcast, slides
Byte-sized RSE Session 4: Continuous Integration
•• intermediateRSE Research software continuous integration coding skills -
Byte-sized RSE Session 3: Testing your Python code
•• intermediateRSE Research software Python coding skills testing -
podcast, slides
RSE Byte-sized RSE Session 2: Collaboration and Code Review via GitHub
•• intermediateRSE Research software code review -
Byte-sized RSE series
•• intermediateRSE coding skills Research software -
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
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