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Scientific topics: Computational chemistry

and Resource type: e-learning

9 materials found

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e-learning

Data management in Medicinal Chemistry

• Beginner
Computational chemistry FAIR Data, Workflows, and Research computational-chemistry data-management fair medicinal-chemistry
e-learning

Protein-ligand docking

•• Intermediate
Computational chemistry Computational chemistry
e-learning

Protein target prediction of a bioactive ligand with Align-it and ePharmaLib

•• Intermediate
Computational chemistry Computational chemistry
e-learning

Running molecular dynamics simulations using GROMACS

•• Intermediate
Computational chemistry Computational chemistry
e-learning

Virtual screening of the SARS-CoV-2 main protease with rxDock and pose scoring

•• Intermediate
Computational chemistry Computational chemistry covid19 one-health
e-learning

High Throughput Molecular Dynamics and Analysis

••• Advanced
Computational chemistry Computational chemistry
e-learning

Analysis of molecular dynamics simulations

•• Intermediate
Computational chemistry Computational chemistry
e-learning

Running molecular dynamics simulations using NAMD

•• Intermediate
Computational chemistry Computational chemistry
e-learning

Setting up molecular systems

•• Intermediate
Computational chemistry Computational chemistry