Full input and output files for computationally docked structures of congeneric ligands similar to BDBM14774=ROF in crystal structure 1XOQ

1. 1XOQ-voxthresh-7.pdb
2. 1XOQ-voxthresh-3.pdb
3. prot-log.txt
4. 1XOQ-results.mol2
5. 1XOQ_ligand2.mol2
6. BindingDB_14774.docklog.results_tab.log
7. BindingDB_14774.docklog
8. 1XOQ_ligand7.mol2
9. 1XOQ-voxthresh-1.pdb
10. 1XOQ_ligand3.mol2
11. 1XOQ-voxthresh-2.pdb
12. 1XOQ-marked-protein.pdb
13. BindingDB_14774.mol2
14. BindingDB_14775.frags.mol2
15. 1XOQ_ligand5.mol2
16. 1XOQ_ligand4.mol2
17. 1XOQ_sdf-log.txt
18. log-results.mol2
19. BindingDB_14774.docklog.mol2
20. 1XOQ_ligand0.mol2
21. 1XOQ_congener.mol2
22. BindingDB_14775.mol2
23. log-results_tab.log
24. 1XOQ_ligand8.mol2
25. 1XOQ_ligand10.mol2
26. 1XOQ_ligand12.mol2
27. BindingDB_14774.frags.mol2
28. 1XOQ_ligand6.mol2
29. 1XOQ-voxthresh-9.pdb
30. protein_sampling.mol2
31. BindingDB_14775.docklog
32. 1XOQ_ligand11.mol2
33. 1XOQ.Targets
34. log
35. 1XOQ_congener-log.txt
36. 1XOQ-voxthresh-0.pdb
37. 1XOQ-results_BindingDB_14774.mol2
38. BindingDB_14775.docklog.mol2
39. bdb_1XOQ_ROF_3D.sdf
40. 1XOQ_sdf.mol2
41. scale
42. BindingDB_14775.docklog.results_tab.log
43. frag2.mol2
44. prot.mol2
45. 1XOQ-voxthresh-8.pdb
46. 1XOQ.csv
47. 1XOQ-voxthresh-4.pdb
48. 1XOQ.mol2
49. 1XOQ.pdb
50. 1XOQ-voxthresh-6.pdb
51. 1XOQ_ligand1.mol2
52. 1XOQ_ligand9.mol2
53. 1XOQ-voxthresh-5.pdb
54. 1XOQ-voxthresh-10.pdb
55. ROF.sdf
56. 1XOQ-protomol.mol2
57. 1XOQ.opt-protein-trim.mol2
58. frag1.mol2
59. 1XOQ_water.mol2
60. 1XOQ-results_tab.log
61. 1XOQ-marked-vox.pdb
62. bdb_1XOQ_ROF_sim.txt