All Published Workflows

2 workflows that have been reviewed and published

quantms
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Quantitative mass spectrometry workflow. Currently supports proteomics experiments with complex experimental designs for DDA-LFQ, DDA-Isobaric and DIA-LFQ quantification.
public

public

nf-core/quantms is a bioinformatics best-practice analysis pipeline for Quantitative Mass Spectrometry (MS). Currently, th...
Mass spectrometry data Protein accession Protein quantification Mass spectrometry data MSstatsTMT DIA-NN MSstats MultiQC Nextflow OpenMS Percolator pyOpenMS CometAdapter MSGFPlusAdapter Proteomics experiment
Free
37
protein-ligand-complex-parameterization-main
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protein ligand complex parameterization
public

public

Parameterizes an input protein (PDB) and ligand (SDF) file prior to molecular dynamics simulation with GROMACS. This is a sim...
PDB Protein accession Protein architecture analysis Protein-ligand complex gromacs_mpi AmberTools Galaxy Gromacs Open Babel RDKit WorkflowHub Biomolecular simulation
Free