All Published Workflows

7 workflows that have been reviewed and published

python-protein-ligand-docking-tutorial-fpocket
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Python Protein-ligand Docking tutorial (Fpocket) using BioExcel Building Blocks (biobb)
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Protein-ligand Docking tutorials using BioExcel Building Blocks (biobb) This tutorials aim to illustrate the process of pro...
Protein-ligand docking biobb_structure_utils biobb_chemistry biobb_common biobb_vs AutoDock Vina Fpocket Open Babel biobb-chemistry biobb-common biobb-structure-utils biobb-vs Protein interaction experiment
Free
1
cwl-protein-ligand-docking-tutorial-fpocket
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CWL Protein-ligand Docking tutorial (Fpocket) using Biobb.
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public

Protein-ligand Docking tutorials using BioExcel Building Blocks (biobb) This tutorials aim to illustrate the process of pro...
CWL Protein-ligand docking biobb_structure_utils biobb_analysis biobb_chemistry biobb_gromacs biobb_model biobb_vs genion AutoDock Vina Fpocket Gromacs Open Babel editconf gmx energy Protein interactions
Free
22
jupyter-notebook-amber-protein-ligand-complex-md-s
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Jupyter Notebook Amber Protein Ligand Complex MD Setup tutorial using Biobb
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Based on the official GROMACS tutorial . This tutorials aim to illustrate the process of setting up a simulation system c...
Protein-ligand complex Protein-ligand docking biobb_structure_utils biobb_amber biobb_analysis biobb_chemistry biobb_io NGLview Open Babel CPPTRAJ biobb-amber biobb-analysis biobb-chemistry biobb-io biobb-structure-utils ipywidgets plotly Protein interaction experiment
Free
44
jupyter-notebook-protein-ligand-docking-tutorial-f
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Jupyter Notebook Protein-ligand Docking tutorial (Fpocket)
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public

Protein-ligand Docking tutorials using BioExcel Building Blocks (biobb) This tutorials aim to illustrate the process of pro...
JSON Protein-ligand docking biobb_structure_utils biobb_chemistry biobb_io biobb_vs AutoDock Vina Biopython Fpocket NGLview Open Babel biobb-chemistry biobb-io biobb-structure-utils biobb-vs ipywidgets pdbparser Protein interaction experiment
Free
26
jupyter-notebook-protein-ligand-docking-tutorial-p
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Jupyter Notebook Protein-ligand Docking tutorial (PDBe REST API) using Biobb.
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public

Protein-ligand Docking tutorials using BioExcel Building Blocks (biobb) This tutorials aim to illustrate the process of pro...
JSON Active site prediction Protein-ligand docking biobb_structure_utils biobb_chemistry biobb_io biobb_vs AutoDock Vina Biopython Fpocket NGLview Open Babel biobb-chemistry biobb-io biobb-structure-utils biobb-vs ipywidgets pdbparser Protein interaction experiment
Free
26
jupyter-notebook-protein-ligand-docking-tutorial-c
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Jupyter Notebook Protein-ligand Docking tutorial (Cluster90)
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public

Protein-ligand Docking tutorials using BioExcel Building Blocks (biobb) This tutorials aim to illustrate the process of pro...
JSON Protein-ligand docking biobb_structure_utils biobb_chemistry biobb_io biobb_vs AutoDock Vina Biopython Fpocket NGLview Open Babel biobb-chemistry biobb-io biobb-structure-utils biobb-vs ipywidgets pdbparser Protein binding sites
Free
26
cheminformatics-enumerate-ligands-for-docking
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Cheminformatics - Enumerate ligands for docking
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public

This workflow is used form the preparation of protein and ligands for docking. More info can be found at https://covid19.ga...
Protein-ligand docking Galaxy WorkflowHub Cheminformatics
Free