Full input and output files for computationally docked structures of congeneric ligands similar to BDBM14773=CIO in crystal structure 1XLX

1. 1XLX_congener.mol2
2. prot-log.txt
3. BindingDB_14771.docklog
4. 1XLX.pdb
5. 1XLX.mol2
6. BindingDB_14773.mol2
7. 1XLX-marked-vox.pdb
8. 1XLX-voxthresh-4.pdb
9. BindingDB_14771.mol2
10. 1XLX-voxthresh-9.pdb
11. BindingDB_14361.docklog.mol2
12. bdb_1XLX_CIO_sim.txt
13. BindingDB_14773.docklog.mol2
14. 1XLX-results_BindingDB_14361.mol2
15. log-results.mol2
16. 1XLX-voxthresh-1.pdb
17. 1XLX-voxthresh-10.pdb
18. 1XLX-results_BindingDB_14771.mol2
19. log-results_tab.log
20. 1XLX_water.mol2
21. BindingDB_14361.docklog.results_tab.log
22. BindingDB_14771.docklog.results_tab.log
23. 1XLX-voxthresh-0.pdb
24. protein_sampling.mol2
25. BindingDB_14361.mol2
26. 1XLX-voxthresh-2.pdb
27. log
28. BindingDB_14361.frags.mol2
29. 1XLX-voxthresh-7.pdb
30. bdb_1XLX_CIO_3D.sdf
31. 1XLX-voxthresh-6.pdb
32. 1XLX_sdf-log.txt
33. BindingDB_14771.docklog.mol2
34. 1XLX-voxthresh-3.pdb
35. BindingDB_14773.frags.mol2
36. 1XLX-marked-protein.pdb
37. 1XLX_ligand1.mol2
38. BindingDB_14361.docklog
39. CIO.sdf
40. 1XLX-results.mol2
41. 1XLX_sdf.mol2
42. scale
43. frag2.mol2
44. prot.mol2
45. BindingDB_14771.frags.mol2
46. 1XLX-protomol.mol2
47. BindingDB_14773.docklog
48. 1XLX-results_tab.log
49. 1XLX-voxthresh-5.pdb
50. 1XLX_congener-log.txt
51. 1XLX-results_BindingDB_14773.mol2
52. 1XLX-voxthresh-8.pdb
53. 1XLX_ligand0.mol2
54. 1XLX.csv
55. BindingDB_14773.docklog.results_tab.log
56. 1XLX.Targets
57. frag1.mol2
58. 1XLX.opt-protein-trim.mol2