Workflows

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125 Workflows visible to you, out of a total of 184

Fragment-based virtual screening with docking and pose scoring

Dock a compound library against a target protein with rDock and validate the poses generated against a reference fragment using SuCOS to compare the feature overlap. Poses are filtered by a user-specified SuCOS threshold.

A list of fragments should be specified which will be used to define the cavity for docking, using the 'Frankenstein ligand' technique. For more details, please see https://www.informaticsmatters.com/blog/2018/11/23/cavities-and-frankenstein-molecules.html ...

Type: Galaxy

Creator: Simon Bray, Tim Dudgeon

Submitter: Simone Leo

test

Type: KNIME

Creators: None

Submitter: Finn Bacall

Stable

Hypermatrix size 2x2 blocks, block size 2x2 elements

Type: PyCOMPSs

Creator: Raül Sirvent

Submitter: Raül Sirvent

No description specified

Type: Galaxy

Creators: None

Submitter: Simone Leo

Stable

drawing

MultiAffinity enables the study of how gene dysregulation propagates on a multilayer network on a disease of interest, uncovering key genes. Find the detailed documentation for the tool here.

alt

Type: Common Workflow Language

Creators: Laura Rodriguez-Navas, Mar Batlle

Submitter: Laura Rodriguez-Navas

No description specified

Type: Snakemake

Creators: None

Submitter: Jane Doe

Ttest

Type: Unrecognized workflow type

Creator: Alexandra Has

Submitter: Jane Doe

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