All Published Workflows

4 workflows that have been reviewed and published

gps_paper_pipeline
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Pipeline for the manuscript 'Accurate detection of shared genetic architecture from GWAS summary statistics in the small-sample context'
public

public

This repository contains a snakemake pipeline for the reproduction of the results in the manuscript named above. The file...
Expression data Modelling and simulation Molecular simulation data plink2 Pandas patcHwork pLink Snakemake argparse data.table evd fitdistrplus ggplot2 ggpubr Hmisc magrittr mvtnorm Rcpp scales stringr numpy scipy simGWAS Genetics
Free
170
cwl-protein-md-setup-tutorial
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CWL Protein MD Setup tutorial
public

public

Based on the official GROMACS tutorial . This tutorial aims to illustrate the process of setting up a simulation system c...
CWL Protein complex Modelling and simulation Molecular simulation data biobb_structure_utils biobb_analysis biobb_chemistry biobb_gromacs biobb_model genion Gromacs editconf gmx energy Biomolecular simulation
Free
16
cwl-amber-protein-md-setup-tutorial
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CWL Amber Protein MD Setup tutorial
public

public

Based on the official GROMACS tutorial . This tutorial aims to illustrate the process of setting up a simulation system c...
PDB Protein complex Modelling and simulation Molecular simulation data biobb_structure_utils biobb_amber biobb_analysis biobb_chemistry CPPTRAJ Biomolecular simulation
Free
14
gromacs-mmgbsa-main
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GROMACS MMGBSA free energy calculation
public

public

Perform an ensemble of MD simulations of a user-specified size using GROMACS, and calculate MMGBSA free energies using AmberT...
Protein-ligand complex Modelling and simulation Protein-ligand interaction report gromacs_mpi AmberTools Galaxy Gromacs WorkflowHub Biomolecular simulation
Free