Full input and output files for computationally docked structures of congeneric ligands similar to BDBM14772=5RM in crystal structure 1XM6

1. BindingDB_14772.frags.mol2
2. 1XM6.opt-protein-trim.mol2
3. prot-log.txt
4. 1XM6_sdf.mol2
5. BindingDB_14772.docklog.results_tab.log
6. 5RM.sdf
7. BindingDB_14361.docklog.mol2
8. BindingDB_14772.mol2
9. 1XM6.csv
10. log-results.mol2
11. 1XM6_congener-log.txt
12. 1XM6_water.mol2
13. 1XM6.Targets
14. log-results_tab.log
15. 1XM6-voxthresh-6.pdb
16. BindingDB_14361.docklog.results_tab.log
17. protein_sampling.mol2
18. 1XM6-voxthresh-3.pdb
19. BindingDB_14361.mol2
20. 1XM6_ligand0.mol2
21. 1XM6.mol2
22. 1XM6-marked-protein.pdb
23. bdb_1XM6_5RM_3D.sdf
24. log
25. BindingDB_14361.frags.mol2
26. 1XM6-voxthresh-7.pdb
27. BindingDB_14361.docklog
28. 1XM6-results_BindingDB_14772.mol2
29. scale
30. frag2.mol2
31. prot.mol2
32. 1XM6_ligand1.mol2
33. bdb_1XM6_5RM_sim.txt
34. 1XM6-results_BindingDB_14361.mol2
35. 1XM6-marked-vox.pdb
36. 1XM6-protomol.mol2
37. 1XM6-voxthresh-10.pdb
38. BindingDB_14772.docklog.mol2
39. BindingDB_14772.docklog
40. 1XM6-results.mol2
41. 1XM6-voxthresh-0.pdb
42. 1XM6_congener.mol2
43. 1XM6-voxthresh-9.pdb
44. 1XM6_sdf-log.txt
45. 1XM6-voxthresh-2.pdb
46. 1XM6-voxthresh-5.pdb
47. 1XM6.pdb
48. 1XM6-results_tab.log
49. 1XM6-voxthresh-4.pdb
50. 1XM6-voxthresh-1.pdb
51. 1XM6_ligand2.mol2
52. 1XM6-voxthresh-8.pdb
53. frag1.mol2
54. 1XM6_ligand3.mol2