FragRep
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Structure-based Drug Design by Fragment Replacement

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Disclaimer


No molecule information will be retained on the system.

Step 1: Please choose a protein and a ligand file
Description

Please choose a Protein file :
(mol2 or pdb format)
Please choose a Ligand file :
(mol2 or pdb format)
Example_Files_1:       Protein File                Ligand File
Example_Files_2:       Protein File                Ligand File

How to prepare the input files ?
You can prepare the input files by splitting an X-ray cocrystal structure of a protein-ligand complex. Or you can prepare the input files from molecular docking.

Step 2: Please click the following button to upload files
Description