Full input and output files for computationally docked structures of congeneric ligands similar to BDBM33282=O60 in crystal structure 3IBN

1. BindingDB_33282.mol2
2. prot-log.txt
3. 3IBN_ligand1.mol2
4. BindingDB_50159803.frags.mol2
5. bdb_3IBN_O60_3D.sdf
6. BindingDB_50136087.docklog
7. 3IBN-voxthresh-4.pdb
8. BindingDB_50159803.docklog
9. 3IBN_congener-log.txt
10. BindingDB_33282.docklog.mol2
11. 3IBN-results_tab.log
12. BindingDB_50136084.docklog.results_tab.log
13. BindingDB_50154471.docklog
14. 3IBN-marked-vox.pdb
15. BindingDB_50154471.frags.mol2
16. BindingDB_33280.frags.mol2
17. 3IBN-voxthresh-3.pdb
18. 3IBN_congener.mol2
19. BindingDB_50159803.docklog.mol2
20. BindingDB_50136084.frags.mol2
21. log-results.mol2
22. BindingDB_50136087.frags.mol2
23. BindingDB_33280.docklog.results_tab.log
24. BindingDB_33282.docklog
25. BindingDB_33281.docklog.results_tab.log
26. BindingDB_50159803.mol2
27. 3IBN-results_BindingDB_33281.mol2
28. 3IBN-voxthresh-0.pdb
29. 3IBN-voxthresh-7.pdb
30. 3IBN-voxthresh-2.pdb
31. 3IBN.csv
32. BindingDB_33281.docklog.mol2
33. BindingDB_50159810.docklog.mol2
34. BindingDB_33282.docklog.results_tab.log
35. log-results_tab.log
36. BindingDB_50159810.docklog
37. 3IBN-results_BindingDB_33282.mol2
38. 3IBN-voxthresh-5.pdb
39. BindingDB_50159810.mol2
40. BindingDB_50154471.docklog.results_tab.log
41. protein_sampling.mol2
42. bdb_3IBN_O60_sim.txt
43. 3IBN-voxthresh-6.pdb
44. BindingDB_50154471.mol2
45. BindingDB_50159810.docklog.results_tab.log
46. 3IBN-results_BindingDB_50154471.mol2
47. 3IBN-results_BindingDB_50159803.mol2
48. log
49. ligand_sampling.mol2
50. 3IBN_water.mol2
51. 3IBN_sdf.mol2
52. 3IBN-results.mol2
53. BindingDB_50136087.mol2
54. scale
55. frag2.mol2
56. BindingDB_33280.mol2
57. prot.mol2
58. BindingDB_33281.frags.mol2
59. BindingDB_33281.docklog
60. O60.sdf
61. BindingDB_50136087.docklog.mol2
62. BindingDB_50136084.docklog
63. 3IBN-protomol.mol2
64. 3IBN.mol2
65. BindingDB_50159810.frags.mol2
66. BindingDB_50154471.docklog.mol2
67. BindingDB_50159803.docklog.results_tab.log
68. 3IBN_sdf-log.txt
69. 3IBN.pdb
70. 3IBN-voxthresh-9.pdb
71. 3IBN-marked-protein.pdb
72. 3IBN.Targets
73. BindingDB_33281.mol2
74. BindingDB_50136084.docklog.mol2
75. 3IBN-voxthresh-1.pdb
76. BindingDB_33282.frags.mol2
77. BindingDB_50136087.docklog.results_tab.log
78. BindingDB_33280.docklog
79. BindingDB_33280.docklog.mol2
80. 3IBN_ligand0.mol2
81. BindingDB_50136084.mol2
82. frag1.mol2
83. 3IBN-results_BindingDB_33280.mol2
84. 3IBN-voxthresh-8.pdb
85. 3IBN.opt-protein-trim.mol2