Full input and output files for computationally docked structures of congeneric ligands similar to BDBM50350236=1DI in crystal structure 3SFH

1. BindingDB_50350235.docklog.results_tab.log
2. 3SFH-results_tab.log
3. prot-log.txt
4. 3SFH_sdf-log.txt
5. 3SFH-results_BindingDB_50350235.mol2
6. BindingDB_50350236.docklog.mol2
7. 3SFH-marked-protein.pdb
8. 3SFH-voxthresh-1.pdb
9. 3SFH-voxthresh-4.pdb
10. log-results.mol2
11. 3SFH-marked-vox.pdb
12. bdb_3SFH_1DI_sim.txt
13. BindingDB_50350235.frags.mol2
14. BindingDB_50350236.mol2
15. BindingDB_50350235.docklog
16. 3SFH.Targets
17. 3SFH.pdb
18. 3SFH-protomol.mol2
19. 3SFH-results_BindingDB_50350236.mol2
20. 3SFH-voxthresh-7.pdb
21. 3SFH-voxthresh-2.pdb
22. log-results_tab.log
23. protein_sampling.mol2
24. bdb_3SFH_1DI_3D.sdf
25. BindingDB_50350235.docklog.mol2
26. 3SFH_congener.mol2
27. log
28. 3SFH-voxthresh-3.pdb
29. BindingDB_50350236.docklog
30. 3SFH-voxthresh-0.pdb
31. 3SFH-voxthresh-6.pdb
32. scale
33. frag2.mol2
34. prot.mol2
35. 3SFH.opt-protein-trim.mol2
36. 3SFH_ligand1.mol2
37. 3SFH.mol2
38. 3SFH-voxthresh-8.pdb
39. 3SFH-results.mol2
40. 3SFH-voxthresh-5.pdb
41. 3SFH.csv
42. 3SFH-voxthresh-10.pdb
43. 3SFH_water.mol2
44. BindingDB_50350236.frags.mol2
45. BindingDB_50350236.docklog.results_tab.log
46. 3SFH_ligand3.mol2
47. 3SFH_ligand2.mol2
48. 3SFH_sdf.mol2
49. 3SFH_ligand0.mol2
50. 3SFH-voxthresh-9.pdb
51. 1DI.sdf
52. BindingDB_50350235.mol2
53. frag1.mol2
54. 3SFH_congener-log.txt