Training materials
Scientific topics: Computational chemistry
and Difficulty level: Intermediate
and Contributors: Simon Bray
7 materials found
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e-learning
Protein target prediction of a bioactive ligand with Align-it and ePharmaLib
•• intermediateComputational chemistry -
e-learning
Protein-ligand docking
•• intermediateComputational chemistry -
e-learning
Running molecular dynamics simulations using GROMACS
•• intermediateComputational chemistry -
e-learning
Virtual screening of the SARS-CoV-2 main protease with rxDock and pose scoring
•• intermediateComputational chemistry covid19 one-health -
e-learning
Analysis of molecular dynamics simulations
•• intermediateComputational chemistry -
e-learning
Running molecular dynamics simulations using NAMD
•• intermediateComputational chemistry -
e-learning
Setting up molecular systems
•• intermediateComputational chemistry