Training materials
Tools: Open Babel
and Licence: Creative Commons Attribution 4.0 International
and Related resources: Associated Workflows
6 materials found
-
e-learning
Predicting EI+ mass spectra with QCxMS
• beginnerMetabolomics -
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 FAIR Data, Workflows, and Research computational-chemistry data-management fair medicinal-chemistry -
e-learning
Protein-ligand docking
•• intermediateComputational chemistry -
e-learning
Protein target prediction of a bioactive ligand with Align-it and ePharmaLib
•• intermediateComputational chemistry -
e-learning
High Throughput Molecular Dynamics and Analysis
••• advancedComputational chemistry