Full input and output files for computationally docked structures of congeneric ligands similar to BDBM14685=219 in crystal structure 1O4I

1. 219.sdf
2. prot-log.txt
3. 1O4I-voxthresh-4.pdb
4. BindingDB_50112470.docklog.results_tab.log
5. BindingDB_50112458.docklog
6. BindingDB_50112458.docklog.mol2
7. BindingDB_50112470.frags.mol2
8. bdb_1O4I_219_3D.sdf
9. BindingDB_50113762.docklog.mol2
10. 1O4I-voxthresh-2.pdb
11. BindingDB_50112451.docklog.mol2
12. BindingDB_50112470.mol2
13. BindingDB_14680.docklog.results_tab.log
14. BindingDB_14685.docklog.results_tab.log
15. BindingDB_14680.frags.mol2
16. BindingDB_14680.docklog
17. 1O4I.pdb
18. 1O4I.opt-protein-trim.mol2
19. BindingDB_50112470.docklog.mol2
20. 1O4I-marked-vox.pdb
21. 1O4I-results_tab.log
22. BindingDB_50112470.docklog
23. BindingDB_50112458.docklog.results_tab.log
24. BindingDB_50112451.mol2
25. log-results.mol2
26. BindingDB_50112451.frags.mol2
27. 1O4I_ligand0.mol2
28. BindingDB_50113762.frags.mol2
29. 1O4I-voxthresh-1.pdb
30. 1O4I-voxthresh-6.pdb
31. BindingDB_50112458.frags.mol2
32. log-results_tab.log
33. BindingDB_14685.docklog
34. BindingDB_14680.docklog.mol2
35. 1O4I_sdf-log.txt
36. BindingDB_50113762.mol2
37. protein_sampling.mol2
38. BindingDB_50113762.docklog.results_tab.log
39. 1O4I_congener.mol2
40. log
41. 1O4I-voxthresh-7.pdb
42. ligand_sampling.mol2
43. 1O4I_congener-log.txt
44. BindingDB_14680.mol2
45. scale
46. BindingDB_14685.frags.mol2
47. frag2.mol2
48. prot.mol2
49. BindingDB_50112458.mol2
50. 1O4I-protomol.mol2
51. 1O4I-voxthresh-3.pdb
52. BindingDB_14685.mol2
53. 1O4I_sdf.mol2
54. 1O4I_water.mol2
55. 1O4I.csv
56. BindingDB_50112451.docklog.results_tab.log
57. bdb_1O4I_219_sim.txt
58. 1O4I-voxthresh-9.pdb
59. 1O4I-results_BindingDB_14680.mol2
60. 1O4I-voxthresh-0.pdb
61. 1O4I-marked-protein.pdb
62. BindingDB_50113762.docklog
63. 1O4I.Targets
64. 1O4I-voxthresh-5.pdb
65. BindingDB_50112451.docklog
66. 1O4I-results.mol2
67. 1O4I-voxthresh-10.pdb
68. 1O4I-results_BindingDB_14685.mol2
69. 1O4I-voxthresh-8.pdb
70. 1O4I.mol2
71. frag1.mol2
72. BindingDB_14685.docklog.mol2