RO-Crate containing execution provenance about the MaxQuant-Workflow that analyze label-free data with MaxQuant based on Nextflow, running with SDRF implemented. Normalization and statistical comparisons using NormalyzerDE are conducted on the MaxQuant result

CWL version of the md_list.cwl workflow for HPC. This performs a system setup and runs a molecular dynamics simulation on the structure passed to this workflow. This workflow uses the md_gather.cwl sub-workflow to gather the outputs together to return these. To work with more than one structure this workflow can be called from either the md_launch.cwl workflow, or the md_launch_mutate.cwl workflow. These use scatter for parallelising the workflow. md_launch.cwl operates on a list of individual ...

Summary

This tutorial aims to illustrate the process of protein-ligand docking, step by step, using the BioExcel Building Blocks library (biobb). The particular example used is the Mitogen-activated protein kinase 14 (p38-α) protein (PDB code 3HEC), a well-known Protein Kinase enzyme, in complex with the FDA-approved Imatinib, (PDB Ligand code STI, DrugBank Ligand Code DB00619), a small molecule kinase inhibitor used to treat certain types of cancer.

Workflow engine is a jupyter notebook. It ...

workflow-test-fixture

A workflow and associated files for use in SEEK's tests

sort lines and change text to upper case

1. Name of the application: Adapter removal hello world
2. Name of the application: Mapping and bam sorting goodbye world

1. Name of the application: Adapter removal hello world 2. Name of the application: Mapping and bam sorting goodbye world

Preprocessing of raw SARS-CoV-2 reads

The raw reads available so far are generated from bronchoalveolar lavage fluid (BALF) and are metagenomic in nature: they contain human reads, reads from potential bacterial co-infections as well as true COVID-19 reads.

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