Workflows

What is a Workflow?
2 Workflows matching the given criteria: (Clear all filters)
Tool: AmberTools2
gromacs-mmgbsa/main

MMGBSA simulation and calculation

Type: Galaxy

Creators: Simon Bray, Simon Bray

Submitter: WorkflowHub Bot

protein-ligand-complex-parameterization/main

Protein-ligand complex parameterization

Parameterizes an input protein (PDB) and ligand (SDF) file prior to molecular dynamics simulation with GROMACS.

This is a simple workflow intended for use as a subworkflow in more complex MD workflows. It is used as a subworkflow by the GROMACS MMGBSA and dcTMD workflows.

Type: Galaxy

Creator: Simon Bray

Submitter: WorkflowHub Bot

Download
Powered by
 (v.1.16.0)
About WorkflowHub | Acknowledgements | Credits | Terms & Conditions | Privacy Policy | Cite us | Contact us
Copyright © 2008 - 2024 The University of Manchester and HITS gGmbH