Vakser Lab - GRAMM Web

Email Address:

PDB file of the receptor: ⓘ

Please provide a PDB File.

PDB file of the ligand: ⓘ

Please provide a PDB File.

Docking methodology: ⓘ

Number of top matches to output as PDB files: ⓘ

Free docking using GRAMM:

Docking Parameters
- Number of scan matches to output:
Interface residue constraints ⓘ
- Receptor interface residues
  Receptor residues that might form the interface with the ligand with a confidence score 0 - 10.
  Example: 11:5,25:10,101:6 will select receptor residues 11, 25 & 101 with confidence score 5, 10 & 6 respectively.
- Ligand interface residues
  Ligand residues that might form the interface with the receptor with a confidence score 0 - 10.
  Example: 1:5,2:1,3:10,100:10 will select receptor residues 1, 2, 3 & 100 with confidence score 5, 1, 10 & 10 respectively.
Clustering parameters: ⓘ
- Perform clustering of docking poses
- Number of top predictions to perform clustering:
- Clustering threshold (RMSD < Å):

Template based docking: ⓘ

PDB Id:

Chain/Model 1:

Chain/Model 2: