Full input and output files for computationally docked structures of congeneric ligands similar to BDBM25826=53R in crystal structure 3F0B

1. prot-log.txt
2. BindingDB_50298821.docklog.results_tab.log
3. BindingDB_50298821.docklog
4. 3F0B-results.mol2
5. BindingDB_50298821.frags.mol2
6. 3F0B-voxthresh-8.pdb
7. BindingDB_25826.docklog.mol2
8. bdb_3F0B_53R_sim.txt
9. 3F0B_sdf-log.txt
10. 3F0B.mol2
11. 3F0B_congener-log.txt
12. bdb_3F0B_53R_3D.sdf
13. 53R.sdf
14. 3F0B-voxthresh-2.pdb
15. log-results.mol2
16. 3F0B_water.mol2
17. 3F0B_ligand0.mol2
18. BindingDB_25826.mol2
19. 3F0B-protomol.mol2
20. BindingDB_25826.docklog.results_tab.log
21. 3F0B_sdf.mol2
22. 3F0B_congener.mol2
23. 3F0B.csv
24. log-results_tab.log
25. 3F0B_ligand1.mol2
26. protein_sampling.mol2
27. log
28. 3F0B-voxthresh-4.pdb
29. 3F0B.opt-protein-trim.mol2
30. 3F0B-voxthresh-3.pdb
31. scale
32. BindingDB_50298821.mol2
33. 3F0B-results_tab.log
34. frag2.mol2
35. prot.mol2
36. 3F0B.Targets
37. 3F0B-voxthresh-5.pdb
38. 3F0B-marked-protein.pdb
39. 3F0B-voxthresh-7.pdb
40. 3F0B-voxthresh-0.pdb
41. BindingDB_25826.docklog
42. BindingDB_25826.frags.mol2
43. 3F0B-voxthresh-9.pdb
44. 3F0B.pdb
45. 3F0B-results_BindingDB_25826.mol2
46. 3F0B-voxthresh-6.pdb
47. BindingDB_50298821.docklog.mol2
48. frag1.mol2
49. 3F0B-voxthresh-1.pdb
50. 3F0B-voxthresh-10.pdb
51. 3F0B-marked-vox.pdb