Training materials
Scientific topics: Computational chemistry
and Contributors: Aurélien F. A. Moumbock or Celia van Gelder or Chris Evelo or Christopher Barnett or Emily Angiolini
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hands-on tutorial
Protein target prediction of a bioactive ligand with Align-it and ePharmaLib
•• 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