DeepBindBC is a deep learning based binary classifier for identifying native-like protein-ligand complexes

Extract pocket by known ligand(optional)

(only needed, if user not sure how to prepare protein pocket pdb file)



Input example
python script to extract pocket by known ligand in correct binding position
python script to extract pocket by given pocket position

Submit a job

(One receptor against multiple ligand with known pocket, the protein name should be ????.pdb,the pocket name should be ????_pocket.pdb)


Input example

(The output summary file is summary_all.txt, column 1 is ligand name with its conformation id, column 2 is DeepBindBC's predicted possiblity value, column 3 is vina docking score)

References

    IDENTIFYING NATIVE LIKE PROTEIN-LIGAND COMPLEXES BY DEEP LEARNING OF INTERFACE CONTACT INFORMATION, Haiping Zhang, Konda Mani Saravanan, Linbu Liao, Yanjie Wei* (submitted)