Workflows

What is a Workflow?
1485 Workflows visible to you, out of a total of 1583

Integrative Prediction Strategy (IPS) predicts brain gene expression from blood-derived features using pre-trained machine learning models. The workflow integrates multiple feature selection strategies (unsupervised and supervised) and evaluates model performance across cross-validation folds.

Workflow Steps:

  1. Load matched blood and brain gene expression data.
  2. Apply feature selection:
  • Unsupervised feature selection (features selected without using the target brain gene)
  • Supervised ...

Type: Unrecognized workflow type

Creator: Cigdem Sevim Bayrak

Submitter: Cigdem Sevim Bayrak

DOI: 10.48546/workflowhub.workflow.2139.1

Stable

Protein-protein Docking tutorial using HADDOCK with the BioExcel Building Blocks (biobb)

Based on the official HADDOCK3 Antibody-antigen modelling tutorial.


This tutorial aims to illustrate the process of protein-protein docking, step by step, using HADDOCK3 with the BioExcel Building Blocks library (biobb). The particular systems used in this tutorial are the Interleukin-1β (IL-1β) antigen (PDB ...

Stable

Protein-protein Docking tutorial using HADDOCK with the BioExcel Building Blocks (biobb)

Based on the official HADDOCK3 Antibody-antigen modelling tutorial.


This tutorial aims to illustrate the process of protein-protein docking, step by step, using HADDOCK3 with the BioExcel Building Blocks library (biobb). The particular systems used in this tutorial are the Interleukin-1β (IL-1β) antigen (PDB ...

Stable

Protein-protein Docking tutorial using HADDOCK with the BioExcel Building Blocks (biobb)

Based on the official HADDOCK3 Antibody-antigen modelling tutorial.


This tutorial aims to illustrate the process of protein-protein docking, step by step, using HADDOCK3 with the BioExcel Building Blocks library (biobb). The particular systems used in this tutorial are the Interleukin-1β (IL-1β) antigen (PDB ...

Stable

Protein MD Analysis tutorial using BioExcel Building Blocks (biobb)


This workflow computes a set of Quality Control (QC) analyses on top of an uploaded MD trajectory. QC analyses include positional divergence (RMSd), change of shape (Radius of Gyration), identification of flexible regions (atomic/residue fluctuations), and identification of different molecular conformations (trajectory clustering).


Copyright & Licensing

This software has been developed in the [MMB ...

Stable

Protein MD Analysis tutorial using BioExcel Building Blocks (biobb)


This workflow computes a set of Quality Control (QC) analyses on top of an uploaded MD trajectory. QC analyses include positional divergence (RMSd), change of shape (Radius of Gyration), identification of flexible regions (atomic/residue fluctuations), and identification of different molecular conformations (trajectory clustering).


Copyright & Licensing

This software has been developed in the [MMB ...

Stable

Mutations Protein MD Setup tutorial using BioExcel Building Blocks (biobb)

Based on the official GROMACS tutorial.


This tutorial aims to illustrate the process of setting up a simulation system containing a protein, step by step, using the BioExcel Building Blocks library (biobb). The particular example used is the Lysozyme protein (PDB code 1AKI).


Copyright & Licensing

This software has been developed in ...

Stable

Mutations Protein MD Setup tutorial using BioExcel Building Blocks (biobb)

Based on the official GROMACS tutorial.


This tutorial aims to illustrate the process of setting up a simulation system containing a protein, step by step, using the BioExcel Building Blocks library (biobb). The particular example used is the Lysozyme protein (PDB code 1AKI).


Copyright & Licensing

This software has been developed in ...

Stable

Mutations Protein MD Setup tutorial using BioExcel Building Blocks (biobb)

Based on the official GROMACS tutorial.


This tutorial aims to illustrate the process of setting up a simulation system containing a protein, step by step, using the BioExcel Building Blocks library (biobb). The particular example used is the Lysozyme protein (PDB code 1AKI).


Copyright & Licensing

This software has been developed in ...

Type: Common Workflow Language

Creators: Adam Hospital, Genís Bayarri

Submitter: Genís Bayarri

DOI: 10.48546/workflowhub.workflow.289.3

Stable

Molecular Structure Checking using BioExcel Building Blocks (biobb)


This tutorial aims to illustrate the process of checking a molecular structure before using it as an input for a Molecular Dynamics simulation. The workflow uses the BioExcel Building Blocks library (biobb). The particular structure used is the crystal structure of human Adenylate Kinase 1A (AK1A), in complex with the AP5A inhibitor (PDB code 1Z83).

**Structure ...

Type: Apache Airflow

Creators: Genís Bayarri, Adam Hospital

Submitter: Genís Bayarri

DOI: 10.48546/workflowhub.workflow.2133.1

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