Full input and output files for computationally docked structures of congeneric ligands similar to BDBM14771=FIL in crystal structure 1XLZ

1. 1XLZ-voxthresh-4.pdb
2. 1XLZ-voxthresh-1.pdb
3. 1XLZ_congener.mol2
4. prot-log.txt
5. 1XLZ.csv
6. 1XLZ-marked-vox.pdb
7. BindingDB_14771.docklog
8. 1XLZ.pdb
9. 1XLZ-voxthresh-0.pdb
10. BindingDB_14773.mol2
11. 1XLZ_ligand2.mol2
12. BindingDB_14771.mol2
13. 1XLZ-voxthresh-7.pdb
14. BindingDB_14361.docklog.mol2
15. 1XLZ_sdf-log.txt
16. BindingDB_14773.docklog.mol2
17. log-results.mol2
18. bdb_1XLZ_FIL_3D.sdf
19. 1XLZ-voxthresh-6.pdb
20. 1XLZ-voxthresh-10.pdb
21. log-results_tab.log
22. BindingDB_14361.docklog.results_tab.log
23. 1XLZ-results_tab.log
24. 1XLZ-results.mol2
25. BindingDB_14771.docklog.results_tab.log
26. protein_sampling.mol2
27. BindingDB_14361.mol2
28. 1XLZ_sdf.mol2
29. log
30. BindingDB_14361.frags.mol2
31. 1XLZ-voxthresh-8.pdb
32. 1XLZ_congener-log.txt
33. BindingDB_14771.docklog.mol2
34. BindingDB_14773.frags.mol2
35. 1XLZ-voxthresh-5.pdb
36. BindingDB_14361.docklog
37. scale
38. frag2.mol2
39. prot.mol2
40. 1XLZ-voxthresh-9.pdb
41. 1XLZ-marked-protein.pdb
42. 1XLZ-results_BindingDB_14361.mol2
43. 1XLZ_water.mol2
44. 1XLZ-voxthresh-2.pdb
45. BindingDB_14771.frags.mol2
46. BindingDB_14773.docklog
47. 1XLZ.opt-protein-trim.mol2
48. 1XLZ_ligand0.mol2
49. bdb_1XLZ_FIL_sim.txt
50. FIL.sdf
51. 1XLZ-voxthresh-3.pdb
52. 1XLZ_ligand1.mol2
53. BindingDB_14773.docklog.results_tab.log
54. 1XLZ.mol2
55. frag1.mol2
56. 1XLZ-results_BindingDB_14771.mol2
57. 1XLZ.Targets
58. 1XLZ-protomol.mol2