Full input and output files for computationally docked structures of congeneric ligands similar to BDBM50149201=TZ5 in crystal structure 1Q83

1. 1Q83-voxthresh-7.pdb
2. prot-log.txt
3. 1Q83-results_BindingDB_50149201.mol2
4. BindingDB_8961.docklog
5. 1Q83-voxthresh-3.pdb
6. 1Q83-results.mol2
7. BindingDB_50149201.docklog
8. 1Q83_ligand0.mol2
9. BindingDB_8961.docklog.results_tab.log
10. 1Q83-results_BindingDB_50052409.mol2
11. BindingDB_50149201.mol2
12. 1Q83.csv
13. TZ5.sdf
14. 1Q83_ligand6.mol2
15. BindingDB_50052409.docklog
16. BindingDB_50292570.mol2
17. bdb_1Q83_TZ5_sim.txt
18. BindingDB_50052409.docklog.mol2
19. 1Q83_ligand2.mol2
20. 1Q83_congener.mol2
21. 1Q83_sdf.mol2
22. BindingDB_31904.frags.mol2
23. BindingDB_8961.frags.mol2
24. 1Q83-voxthresh-9.pdb
25. 1Q83-results_tab.log
26. 1Q83_water.mol2
27. log-results.mol2
28. 1Q83.opt-protein-trim.mol2
29. BindingDB_50292570.docklog.mol2
30. BindingDB_50292570.docklog
31. BindingDB_50052411.docklog.mol2
32. 1Q83.mol2
33. BindingDB_50052411.docklog.results_tab.log
34. BindingDB_31904.docklog
35. BindingDB_31904.docklog.mol2
36. log-results_tab.log
37. BindingDB_50052409.frags.mol2
38. protein_sampling.mol2
39. 1Q83-marked-protein.pdb
40. BindingDB_8961.docklog.mol2
41. 1Q83-voxthresh-5.pdb
42. BindingDB_31904.mol2
43. BindingDB_50149201.docklog.mol2
44. log
45. BindingDB_50149201.frags.mol2
46. 1Q83-marked-vox.pdb
47. 1Q83_ligand3.mol2
48. 1Q83_ligand1.mol2
49. 1Q83-voxthresh-1.pdb
50. 1Q83-voxthresh-6.pdb
51. 1Q83.pdb
52. BindingDB_50052411.frags.mol2
53. 1Q83-voxthresh-4.pdb
54. BindingDB_50149201.docklog.results_tab.log
55. 1Q83-results_BindingDB_31904.mol2
56. scale
57. 1Q83-voxthresh-0.pdb
58. frag2.mol2
59. BindingDB_50292570.docklog.results_tab.log
60. prot.mol2
61. 1Q83-voxthresh-8.pdb
62. 1Q83.Targets
63. UnDockable.list
64. BindingDB_50052409.docklog.results_tab.log
65. bdb_1Q83_TZ5_3D.sdf
66. 1Q83_sdf-log.txt
67. BindingDB_50292570.frags.mol2
68. BindingDB_50052411.mol2
69. 1Q83-voxthresh-2.pdb
70. 1Q83-protomol.mol2
71. BindingDB_50052409.mol2
72. 1Q83_ligand4.mol2
73. frag1.mol2
74. BindingDB_50052411.docklog
75. 1Q83_congener-log.txt
76. BindingDB_31904.docklog.results_tab.log
77. BindingDB_8961.mol2
78. 1Q83_ligand5.mol2