Full input and output files for computationally docked structures of congeneric ligands similar to BDBM12028=F18 in crystal structure 3TNH

1. 3TNH_sdf.mol2
2. 3TNH-results_BindingDB_12026.mol2
3. BindingDB_12025.docklog.mol2
4. prot-log.txt
5. 3TNH-voxthresh-5.pdb
6. BindingDB_12024.mol2
7. F18.sdf
8. BindingDB_12028.mol2
9. BindingDB_12025.mol2
10. 3TNH-voxthresh-3.pdb
11. 3TNH-voxthresh-4.pdb
12. 3TNH.pdb
13. 3TNH-protomol.mol2
14. BindingDB_12026.frags.mol2
15. BindingDB_12027.docklog.results_tab.log
16. BindingDB_12026.docklog
17. log-results.mol2
18. BindingDB_12028.frags.mol2
19. BindingDB_12024.docklog.results_tab.log
20. 3TNH_sdf-log.txt
21. BindingDB_12026.docklog.mol2
22. BindingDB_12028.docklog.mol2
23. 3TNH-voxthresh-10.pdb
24. 3TNH_ligand1.mol2
25. log-results_tab.log
26. 3TNH_congener.mol2
27. 3TNH-results.mol2
28. BindingDB_50352019.mol2
29. bdb_3TNH_F18_sim.txt
30. BindingDB_12027.frags.mol2
31. BindingDB_12027.docklog.mol2
32. 3TNH-voxthresh-2.pdb
33. 3TNH.opt-protein-trim.mol2
34. 3TNH-voxthresh-0.pdb
35. BindingDB_12026.docklog.results_tab.log
36. 3TNH.csv
37. log
38. BindingDB_12029.docklog
39. ligand_sampling.mol2
40. 3TNH.Targets
41. BindingDB_12029.mol2
42. BindingDB_12024.docklog
43. 3TNH-voxthresh-6.pdb
44. BindingDB_12025.docklog
45. 3TNH-voxthresh-1.pdb
46. 3TNH-voxthresh-8.pdb
47. scale
48. frag2.mol2
49. 3TNH-results_tab.log
50. BindingDB_12026.mol2
51. BindingDB_12024.docklog.mol2
52. prot.mol2
53. BindingDB_50352019.docklog.mol2
54. BindingDB_12028.docklog.results_tab.log
55. 3TNH.mol2
56. 3TNH-marked-protein.pdb
57. BindingDB_50352019.frags.mol2
58. 3TNH-voxthresh-9.pdb
59. 3TNH-results_BindingDB_12027.mol2
60. BindingDB_50352019.docklog
61. BindingDB_12029.docklog.mol2
62. 3TNH_congener-log.txt
63. BindingDB_12029.frags.mol2
64. 3TNH-marked-vox.pdb
65. BindingDB_12025.frags.mol2
66. BindingDB_12028.docklog
67. BindingDB_12024.frags.mol2
68. BindingDB_12027.docklog
69. BindingDB_50352019.docklog.results_tab.log
70. 3TNH-results_BindingDB_12025.mol2
71. BindingDB_12027.mol2
72. BindingDB_12029.docklog.results_tab.log
73. 3TNH-voxthresh-7.pdb
74. bdb_3TNH_F18_3D.sdf
75. BindingDB_12025.docklog.results_tab.log
76. frag1.mol2
77. 3TNH_ligand0.mol2
78. 3TNH-results_BindingDB_12024.mol2
79. 3TNH-results_BindingDB_12028.mol2