Workflows
What is a Workflow?Filters
This workflow is composed with the XCMS tool R package (Smith, C.A. 2006) able to extract and the metaMS R package (Wehrens, R 2014) for the field of untargeted metabolomics.
Calculate extended gamma-ray source halo using crbeam simulation
Decontamination (foreign contaminants and mitochondrial sequences) of a genome assembly after the final scaffolding step. Uses Kraken2 to identify foreign contaminants and Blast to identify mitochondrial sequences. Part of the VGP Suite.
This workflows contains a pipeline in Scipion that performs the following steps:
1.1) Import small molecules: introduces a set of small molecular structures in the pipeline as prospective ligands
1.2) Import atomic structure: introduces a protein atomic structure in the pipeline as receptor.
2.1) Ligand preparation: uses RDKit to prepare the small molecules optimizing their 3D structure.
2.2) Receptor preparation: uses bioPython to prepare the receptor structure, removing waters, adding hydrogens ...
This workflow performs the most basic Virtual Drug Screening Pipeline to import a set of small molecules and dock them to an imported protein structure.
This workflow was built for the 2024 Bioinformatics Bootcamp at The Open University. It is meant to occur after the (universal) Filter, plot and explore tutorial to allow analysis of a single cluster.
BVSim: A Benchmarking Variation Simulator Mimicking Human Variation Spectrum
Table of Contents
- Getting Started
- Installation
- General Functions and Parameters
- Shared Parameters
- Output Naming Conventions
- [Write the Relative ...
Type: Unrecognized workflow type
Creators: Yongyi Luo, Zhen Zhang, Jiandong Shi, Jingyu Hao, Sheng Lian, Taobo Hu, Toyotaka Ishibashi, Depeng Wang, Shu Wang, Weichuan Yu, Xiaodan Fan
Submitter: Zhen Zhang