Full input and output files for computationally docked structures of congeneric ligands similar to BDBM50009672=SAH in crystal structure 1JQD

1. SAH.sdf
2. prot-log.txt
3. 1JQD-voxthresh-1.pdb
4. BindingDB_50026331.docklog.mol2
5. 1JQD-marked-vox.pdb
6. 1JQD_congener-log.txt
7. 1JQD-results.mol2
8. 1JQD_sdf.mol2
9. BindingDB_50026331.docklog.results_tab.log
10. 1JQD-voxthresh-8.pdb
11. 1JQD-voxthresh-10.pdb
12. BindingDB_50026331.mol2
13. log-results.mol2
14. BindingDB_50026331.docklog
15. 1JQD-voxthresh-4.pdb
16. 1JQD-voxthresh-2.pdb
17. 1JQD_water.mol2
18. 1JQD-voxthresh-6.pdb
19. 1JQD-results_BindingDB_50009672.mol2
20. bdb_1JQD_SAH_sim.txt
21. 1JQD-voxthresh-9.pdb
22. log-results_tab.log
23. BindingDB_50009672.docklog.results_tab.log
24. 1JQD-marked-protein.pdb
25. 1JQD_congener.mol2
26. protein_sampling.mol2
27. 1JQD-voxthresh-7.pdb
28. BindingDB_50026331.frags.mol2
29. log
30. 1JQD-protomol.mol2
31. ligand_sampling.mol2
32. BindingDB_50009672.docklog
33. BindingDB_50009672.docklog.mol2
34. 1JQD.mol2
35. 1JQD.Targets
36. bdb_1JQD_SAH_3D.sdf
37. 1JQD.csv
38. scale
39. BindingDB_50009672.mol2
40. 1JQD_ligand1.mol2
41. BindingDB_50009672.frags.mol2
42. frag2.mol2
43. prot.mol2
44. 1JQD-voxthresh-3.pdb
45. 1JQD_sdf-log.txt
46. 1JQD-voxthresh-0.pdb
47. 1JQD.opt-protein-trim.mol2
48. 1JQD-results_tab.log
49. 1JQD.pdb
50. 1JQD-voxthresh-5.pdb
51. frag1.mol2
52. 1JQD_ligand0.mol2