Full input and output files for computationally docked structures of congeneric ligands similar to BDBM26991=SO3 in crystal structure 5CAC

1. BindingDB_50344900.mol2
2. BindingDB_26992.docklog
3. prot-log.txt
4. bdb_5CAC_SO3_3D.sdf
5. 5CAC_congener.mol2
6. 5CAC-voxthresh-4.pdb
7. BindingDB_50339817.frags.mol2
8. BindingDB_50333756.mol2
9. 5CAC-marked-protein.pdb
10. BindingDB_50339817.docklog.results_tab.log
11. 5CAC.mol2
12. 5CAC.csv
13. 5CAC.Targets
14. 5CAC-voxthresh-3.pdb
15. 5CAC-voxthresh-8.pdb
16. 5CAC-protomol.mol2
17. 5CAC_ligand0.mol2
18. bdb_5CAC_SO3_sim.txt
19. BindingDB_50339817.docklog
20. BindingDB_50333756.frags.mol2
21. BindingDB_50344900.docklog.results_tab.log
22. log-results_tab.log
23. 5CAC_congener-log.txt
24. 5CAC-voxthresh-10.pdb
25. 5CAC-voxthresh-7.pdb
26. 5CAC-marked-vox.pdb
27. protein_sampling.mol2
28. 5CAC-voxthresh-0.pdb
29. 5CAC-voxthresh-9.pdb
30. BindingDB_50344901.docklog.results_tab.log
31. 5CAC.opt-protein-trim.mol2
32. 5CAC-voxthresh-5.pdb
33. log
34. BindingDB_50333756.docklog
35. BindingDB_50333756.docklog.mol2
36. BindingDB_26992.docklog.results_tab.log
37. BindingDB_50339817.mol2
38. 5CAC_water.mol2
39. BindingDB_26992.mol2
40. BindingDB_26991.docklog
41. BindingDB_26991.frags.mol2
42. scale
43. frag2.mol2
44. BindingDB_26992.docklog.mol2
45. BindingDB_26992.frags.mol2
46. prot.mol2
47. 5CAC-results.mol2
48. BindingDB_26991.docklog.results_tab.log
49. 5CAC.pdb
50. 5CAC-voxthresh-6.pdb
51. SO3.sdf
52. BindingDB_50344900.docklog
53. UnDockable.list
54. BindingDB_26991.mol2
55. 5CAC-results_BindingDB_26992.mol2
56. 5CAC_sdf-log.txt
57. 5CAC-voxthresh-2.pdb
58. BindingDB_50344901.mol2
59. BindingDB_50344901.docklog
60. BindingDB_50344900.frags.mol2
61. 5CAC-voxthresh-1.pdb
62. BindingDB_50344901.frags.mol2
63. BindingDB_50333756.docklog.results_tab.log
64. 5CAC_sdf.mol2
65. frag1.mol2
66. 5CAC-results_tab.log