無風的日子

Protein structure : From PDB or Modelling
Ligand structure :

1. Copy smiles from PDB
2. [Zinc website] : search --> structure --> paste smiles --> format : SDF --> Run query --> save zine.sdf
3. copy zine.sdf to iGEMDOCK folder --> run split-zine.exe --> XXX.mol

1. Prepare binding site --> XXX.pdb
2. Prepare compounds ---> ***.mol
3. Start docking