Full input and output files for computationally docked structures of congeneric ligands similar to BDBM14691=687 in crystal structure 1O45

1. 1O45-marked-vox.pdb
2. 1O45-results.mol2
3. 1O45_congener-log.txt
4. prot-log.txt
5. 1O45-voxthresh-3.pdb
6. bdb_1O45_687_sim.txt
7. 1O45.pdb
8. 1O45-voxthresh-6.pdb
9. 687.sdf
10. BindingDB_14691.docklog.mol2
11. 1O45_water.mol2
12. 1O45.Targets
13. BindingDB_14691.mol2
14. 1O45-voxthresh-10.pdb
15. 1O45-voxthresh-2.pdb
16. 1O45_sdf.mol2
17. 1O45.csv
18. BindingDB_50113763.frags.mol2
19. 1O45-results_tab.log
20. log-results.mol2
21. BindingDB_50112418.docklog
22. BindingDB_50113763.docklog
23. 1O45-voxthresh-1.pdb
24. BindingDB_14691.frags.mol2
25. 1O45-results_BindingDB_14691.mol2
26. 1O45-voxthresh-4.pdb
27. log-results_tab.log
28. 1O45-voxthresh-5.pdb
29. 1O45-voxthresh-0.pdb
30. protein_sampling.mol2
31. BindingDB_50112418.docklog.mol2
32. BindingDB_14691.docklog.results_tab.log
33. log
34. BindingDB_50112418.frags.mol2
35. ligand_sampling.mol2
36. 1O45-voxthresh-7.pdb
37. 1O45_sdf-log.txt
38. 1O45.opt-protein-trim.mol2
39. 1O45-protomol.mol2
40. BindingDB_50113763.docklog.results_tab.log
41. scale
42. frag2.mol2
43. 1O45_ligand0.mol2
44. prot.mol2
45. BindingDB_50113763.mol2
46. bdb_1O45_687_3D.sdf
47. 1O45.mol2
48. BindingDB_50112418.mol2
49. 1O45-marked-protein.pdb
50. BindingDB_50112418.docklog.results_tab.log
51. 1O45_congener.mol2
52. BindingDB_14691.docklog
53. frag1.mol2
54. 1O45-voxthresh-9.pdb
55. BindingDB_50113763.docklog.mol2
56. 1O45-voxthresh-8.pdb