Training materials
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e-learning
Virtual screening of the SARS-CoV-2 main protease with rxDock and pose scoring
•• intermediateComputational chemistry covid19 one-health -
e-learning
Data management in Medicinal Chemistry
• beginnerComputational chemistry computational-chemistry data-management fair medicinal-chemistry -
e-learning
High Throughput Molecular Dynamics and Analysis
••• advancedComputational chemistry -
e-learning
Setting up molecular systems
•• intermediateComputational chemistry -
e-learning
Protein-ligand docking
•• intermediateComputational chemistry -
e-learning
Running molecular dynamics simulations using GROMACS
•• intermediateComputational chemistry -
e-learning
Running molecular dynamics simulations using NAMD
•• intermediateComputational chemistry -
e-learning
Analysis of molecular dynamics simulations
•• intermediateComputational chemistry -
e-learning
Protein target prediction of a bioactive ligand with Align-it and ePharmaLib
•• intermediateComputational chemistry -
e-learning
EMBL-EBI, programmatically: Take a REST from manual searches
Chemical biology Proteins Genetics Introduction API Programmatic access REST PDBe EVA Open Targets
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