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829 Workflows visible to you, out of a total of 902
Jupyter Notebook Classical Molecular Interaction Potentials
Stable

CMIP tutorial using BioExcel Building Blocks (biobb)

This tutorial aims to illustrate the process of computing classical molecular interaction potentials from protein structures, step by step, using the BioExcel Building Blocks library (biobb). Examples shown are Molecular Interaction Potentials (MIPs) grids, protein-protein/ligand interaction potentials, and protein titration. The particular structures used are the Lysozyme protein (PDB code 1AKI), ...

Type: Jupyter

Creators: Adam Hospital, Genís Bayarri

Submitter: Genís Bayarri

DOI: 10.48546/workflowhub.workflow.773.2

Python Classical Molecular Interaction Potentials
Stable

CMIP tutorial using BioExcel Building Blocks (biobb)

This tutorial aims to illustrate the process of computing classical molecular interaction potentials from protein structures, step by step, using the BioExcel Building Blocks library (biobb). Examples shown are Molecular Interaction Potentials (MIPs) grids, protein-protein/ligand interaction potentials, and protein titration. The particular structures used are the Lysozyme protein (PDB code 1AKI), ...

Type: Python

Creators: Adam Hospital, Genís Bayarri

Submitter: Genís Bayarri

DOI: 10.48546/workflowhub.workflow.774.1

fluorescence-nuclei-segmentation-and-counting/main

This workflow performs segmentation and counting of cell nuclei using fluorescence microscopy images. The segmentation step is performed using Otsu thresholding (Otsu, 1979). The workflow is based on the tutorial: https://training.galaxyproject.org/training-material/topics/imaging/tutorials/imaging-introduction/tutorial.html

Type: Galaxy

Creator: Leonid Kostrykin

Submitter: WorkflowHub Bot

flavivirushelicase_apo

This is a Galaxy workflow for performing molecular dynamics simulations and analysis with flavivirus helicases in the Apo or unbound state. The associated input files can be found at: https://zenodo.org/records/7493015 The associated output files can be found at: https://zenodo.org/records/7850935

Type: Galaxy

Creator: Bryan Raubenolt

Submitter: Bryan Raubenolt

DOI: 10.48546/workflowhub.workflow.762.1

coronavirushelicase_proteindrugcomplex

This is a Galaxy workflow for performing molecular dynamics simulations and analysis with coronavirus helicases bound to a ligand/drug molecule. The associated input files can be found at: https://zenodo.org/records/7492987. The associated output files can be found at: https://zenodo.org/records/7851000.

Type: Galaxy

Creator: Bryan Raubenolt

Submitter: Bryan Raubenolt

DOI: 10.48546/workflowhub.workflow.763.1

coronavirushelicase_apo

This is a Galaxy workflow for performing molecular dynamics simulations and analysis with coronavirus helicases in the Apo or unbound state. The associated input files can be found at: https://zenodo.org/records/7492987. The associated output files can be found at: https://zenodo.org/records/7851000.

Type: Galaxy

Creator: Bryan Raubenolt

Submitter: Bryan Raubenolt

DOI: 10.48546/workflowhub.workflow.764.1

flavivirushelicase_proteindrugcomplex

This is a Galaxy workflow for performing molecular dynamics simulations and analysis with flavivirus helicases bound to a ligand/drug molecule. The associated input files can be found at: https://zenodo.org/records/7493015 The associated output files can be found at: https://zenodo.org/records/7850935

Type: Galaxy

Creator: Bryan Raubenolt

Submitter: Bryan Raubenolt

DOI: 10.48546/workflowhub.workflow.761.1

Example Multi-Wavelength Light-Curve Analysis
Work-in-progress

Protype demonstrator of a workflow reducing HESS and INTEGRAL/SPI-ACS data to common Light Curve format and combining the lightcurves into a multi-wavelength observation.

Type: Galaxy

Creators: Volodymyr Savchenko, Denys Savchenko, Andrii Neronov

Submitter: Volodymyr Savchenko

Refining Genome Annotations with Apollo (prokaryotes)

Refining Genome Annotations with Apollo

Type: Galaxy

Creator: Anthony Bretaudeau

Submitter: Paul De Geest

Visualizing NDVI time-series data with HoloViz

NDVI data with OpenEO to time series visualisation with HoloViz

Type: Galaxy

Creator: Marie Jossé

Submitter: Paul De Geest

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