Please note: This instance is for testing/development, and any content submitted may be changed or deleted without warning.
Training eSupport System
  • Log In
    • Login
    • Register
  • About
  • Events
  • Materials
  • e-Learning
  • Workflows
  • Collections
  • Learning paths
  • Directory
    • Trainers
    • Providers
    • Nodes

TeSS makes use of some necessary cookies to provide its core functionality.

See our Privacy Policy for more information.

You can modify your cookie preferences at any time here, or from the link in the footer.

Allow necessary cookies
  1. Home
  2. Materials

Filter

  • Sort

  • Filter Clear filters

    • Scientific topic
    • Computational chemistry
    • Bottom-up proteomics33
    • Discovery proteomics33
    • Exomes33
    • Genome annotation33
    • Genomes33
    • Genomics33
    • MS-based targeted proteomics33
    • MS-based untargeted proteomics33
    • Metaproteomics33
    • Peptide identification33
    • Personal genomics33
    • Protein and peptide identification33
    • Proteomics33
    • Quantitative proteomics33
    • Synthetic genomics33
    • Targeted proteomics33
    • Top-down proteomics33
    • Viral genomics33
    • Whole genomes33
    • Algorithms27
    • Bayesian methods27
    • Biostatistics27
    • Computer programming27
    • Data structures27
    • Descriptive statistics27
    • Gaussian processes27
    • Inferential statistics27
    • Markov processes27
    • Multivariate statistics27
    • Probabilistic graphical model27
    • Probability27
    • Programming languages27
    • Software development27
    • Software engineering27
    • Statistics27
    • Statistics and probability27
    • Assembly22
    • Sequence assembly22
    • Biological sequences21
    • Sequence analysis21
    • Sequence databases21
    • Comparative transcriptomics20
    • Transcriptome20
    • Transcriptomics20
    • Antimicrobial stewardship17
    • Medical microbiology17
    • Microbial genetics17
    • Microbial physiology17
    • Microbial surveillance17
    • Microbiological surveillance17
    • Microbiology17
    • Molecular infection biology17
    • Molecular microbiology17
    • Community analysis15
    • DNA variation15
    • Environmental microbiology15
    • Genetic variation15
    • Genomic variation15
    • Microbial ecology15
    • Microbiome15
    • Molecular community analysis15
    • Mutation15
    • Polymorphism15
    • Somatic mutations15
    • Computational ecology14
    • Ecoinformatics14
    • Ecological informatics14
    • Ecology14
    • Ecosystem science14
    • Metagenomics14
    • Shotgun metagenomics14
    • Epigenomics12
    • Biodiversity10
    • Diffraction experiment9
    • Imaging9
    • Microscopy9
    • Microscopy imaging9
    • Optical super resolution microscopy9
    • Photonic force microscopy9
    • Photonic microscopy9
    • Taxonomy9
    • Epidemiology6
    • Exometabolomics6
    • LC-MS-based metabolomics6
    • MS-based metabolomics6
    • MS-based targeted metabolomics6
    • MS-based untargeted metabolomics6
    • Mass spectrometry-based metabolomics6
    • Metabolites6
    • Metabolome6
    • Metabolomics6
    • Metabonomics6
    • NMR-based metabolomics6
    • Public health6
    • Public health and epidemiology6
    • Communicable disease5
    • De novo genome sequencing5
    • Genome sequencing5
    • Infectious disease5
    • Show N_FILTERS more
    • Tool
    • Galaxy5
    • Open Babel3
    • The Protein Data Bank (PDB)3
    • Bio3D2
    • Gromacs2
    • MDAnalysis2
    • RDKit2
    • AmberTools1
    • AutoDock Vina1
    • ChEMBL1
    • ChemicalToolbox1
    • Fpocket1
    • SuCOS1
    • chemfp1
    • Show N_FILTERS more
    • Content provider
    • Galaxy Training7
    • Show N_FILTERS more
    • Keyword
    • Computational chemistry7
    • covid191
    • one-health1
    • Show N_FILTERS more
    • Difficulty level
    • Intermediate6
    • Advanced1
    • Show N_FILTERS more
    • Licence
    • Creative Commons Attribution 4.0 International7
    • Show N_FILTERS more
    • Target audience
    • Students7
    • Show N_FILTERS more
    • Author
    • Simon Bray7
    • Christopher Barnett4
    • Tharindu Senapathi3
    • Nadia Goué2
    • Björn Grüning1
    • Show N_FILTERS more
    • Contributor
    • Björn Grüning
    • Helena Rasche9
    • Simon Bray9
    • Saskia Hiltemann8
    • Christopher Barnett6
    • Bérénice Batut4
    • Gildas Le Corguillé3
    • Anthony Bretaudeau1
    • Armin Dadras1
    • Aurélien F. A. Moumbock1
    • Catherine Bromhead1
    • Khaled Jum'ah1
    • Martin Čech1
    • Nadia Goué1
    • Simon Gladman1
    • Stéphanie Robin1
    • Tharindu Senapathi1
    • Show N_FILTERS more
    • Resource type
    • e-learning7
    • Show N_FILTERS more
    • Related resource
    • Associated Training Datasets6
    • Associated Workflows6
    • Show N_FILTERS more
  • Hide disabled materials
  • Show archived materials
    • Date added
    • In the last 24 hours
    • In the last 1 week
    • In the last 1 month

Training materials

  • Subscribe via email

Email Subscription

Register training material

Scientific topics: Computational chemistry

and Contributors: Björn Grüning

and Include disabled: true

7 materials found
  • e-learning

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

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

    Running molecular dynamics simulations using GROMACS

    •• intermediate
    Computational chemistry
  • e-learning

    High Throughput Molecular Dynamics and Analysis

    ••• advanced
    Computational chemistry
  • e-learning

    Protein-ligand docking

    •• intermediate
    Computational chemistry
  • e-learning

    Analysis of molecular dynamics simulations

    •• intermediate
    Computational chemistry
  • e-learning

    Setting up molecular systems

    •• intermediate
    Computational chemistry
  • e-learning

    Running molecular dynamics simulations using NAMD

    •• intermediate
    Computational chemistry
Training eSupport System
contact@example.com
Contribute
About TeSS
Funding & acknowledgements
Privacy
Cookie preferences
Version: 1.5.0
Source code
API documentation
Bioschemas testing tool

TeSS has received funding from the European Union’s Horizon 2020 research and innovation programme under grant agreement No. 676559.