Create new project: provide structure - BioExcel Building Blocks Workflows

Create project from protein + ligand

In this category users can custom, configure and execute the following workflows related with protein+ligand docking. Take into account that the availability of each project depends on the inputs and parameters provided:

Docking Autodock Vina

Provide
protein + ligand

Settings

Run
project

provide protein and ligand

Upload Complex
PDB ID + Ligand ID

Please, select a structure (PDB file) and a ligand (PDB file) files from your computer.

Protein File (max size 50MB)

Select file Change Remove

Ligand File (max size 10MB)

Select file Change Remove

Upload a structure and a ligand from their corresponding PDB ID's.

Protein

Insert here the PDB ID

Select assembly

Ligands to remove from protein

The following ligands will be removed from the protein: .

Ligand

Select which kind of input do you want to use

Insert here the PDB ID

Select here the ligand associated to the PDB

Insert here the ligand ID

The ligand will be taken automatically from its corresponding structure according to the Protein Data Bank.