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Introduction
Tutorial
Standard Dock
Dock in water
Flexible dock
Specific pH dock
De Novo
Prepare Protein
TCM Docking
Protein Docking
Example Mode
Standard Mode
Dock in water
Specific pH dock
Flexible dock
Browse Results
Docking Results
De Novo
Results
TCM Docking
Tool
Prepare Protein
About YC Lab
1. Please select a protein (in PDB,mol2 format)
WITHOUT any compound / ligand / inhibitor in binding site
Upload Protein file:
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2. Setting Control Ligand (optional)
Use Control Ligand (in mol2,sdf format):
3. Define binding site
Residue
Number of key residues:
1
2
3
・Residue1 Number:
Residue Name:
・Residue2 Number:
Residue Name:
・Residue3 Number:
Residue Name:
Protein polymer Chain:
Coordinates
Give coordinates of the center of the binding site:
x
, y
, z
Binding site radius
4. Other parameters
Raduis for water sphere:
Select Docking Speed :
1x
2x
4x
Send an email notice when docking job is done
Email :
Notice: The docking ligand set contains TCM compounds.