Full input and output files for computationally docked structures of congeneric ligands similar to BDBM13952=794 in crystal structure 1NO6

1. 1NO6-results_BindingDB_13952.mol2
2. 1NO6-results_tab.log
3. prot-log.txt
4. 1NO6-voxthresh-8.pdb
5. BindingDB_13960.docklog.results_tab.log
6. BindingDB_50118789.docklog.mol2
7. 1NO6-marked-protein.pdb
8. BindingDB_13964.mol2
9. 1NO6-results_BindingDB_50118777.mol2
10. BindingDB_13958.frags.mol2
11. BindingDB_13963.frags.mol2
12. 1NO6-voxthresh-2.pdb
13. 1NO6-results.mol2
14. 1NO6-voxthresh-5.pdb
15. 1NO6.pdb
16. BindingDB_50118757.frags.mol2
17. BindingDB_50118789.mol2
18. BindingDB_50118757.docklog.results_tab.log
19. 1NO6.mol2
20. BindingDB_13957.docklog.results_tab.log
21. 1NO6-results_BindingDB_50118757.mol2
22. 1NO6-results_BindingDB_13958.mol2
23. BindingDB_13957.docklog.mol2
24. 1NO6-voxthresh-0.pdb
25. BindingDB_13952.docklog.results_tab.log
26. BindingDB_13963.docklog.results_tab.log
27. BindingDB_13963.mol2
28. log-results.mol2
29. BindingDB_13951.docklog.mol2
30. BindingDB_13962.docklog
31. BindingDB_13960.docklog.mol2
32. bdb_1NO6_794_sim.txt
33. BindingDB_13958.mol2
34. 1NO6.csv
35. BindingDB_13951.docklog
36. BindingDB_13952.mol2
37. 1NO6-voxthresh-7.pdb
38. BindingDB_13963.docklog
39. 1NO6-voxthresh-6.pdb
40. BindingDB_13963.docklog.mol2
41. BindingDB_13962.docklog.results_tab.log
42. log-results_tab.log
43. BindingDB_13958.docklog
44. BindingDB_50118777.docklog
45. protein_sampling.mol2
46. BindingDB_13964.docklog
47. BindingDB_50118789.docklog
48. 1NO6_congener-log.txt
49. BindingDB_13960.frags.mol2
50. BindingDB_13960.mol2
51. 1NO6_sdf.mol2
52. 1NO6-protomol.mol2
53. 794.sdf
54. log
55. 1NO6.opt-protein-trim.mol2
56. BindingDB_13957.mol2
57. BindingDB_50118789.docklog.results_tab.log
58. BindingDB_50118757.docklog
59. BindingDB_13951.frags.mol2
60. BindingDB_13952.docklog.mol2
61. BindingDB_13962.mol2
62. BindingDB_50118777.mol2
63. 1NO6_ligand0.mol2
64. BindingDB_13951.docklog.results_tab.log
65. 1NO6_sdf-log.txt
66. 1NO6-marked-vox.pdb
67. BindingDB_13952.frags.mol2
68. scale
69. frag2.mol2
70. BindingDB_13957.frags.mol2
71. BindingDB_13964.docklog.mol2
72. BindingDB_13962.frags.mol2
73. prot.mol2
74. BindingDB_50118777.docklog.mol2
75. 1NO6-voxthresh-9.pdb
76. 1NO6_congener.mol2
77. BindingDB_50118777.docklog.results_tab.log
78. 1NO6-voxthresh-1.pdb
79. UnDockable.list
80. BindingDB_13958.docklog.results_tab.log
81. BindingDB_13964.docklog.results_tab.log
82. 1NO6.Targets
83. BindingDB_13962.docklog.mol2
84. BindingDB_13958.docklog.mol2
85. BindingDB_13952.docklog
86. BindingDB_50118789.frags.mol2
87. BindingDB_50118777.frags.mol2
88. BindingDB_50118757.docklog.mol2
89. 1NO6-results_BindingDB_13951.mol2
90. BindingDB_13951.mol2
91. BindingDB_50118757.mol2
92. BindingDB_13957.docklog
93. 1NO6_water.mol2
94. bdb_1NO6_794_3D.sdf
95. BindingDB_13964.frags.mol2
96. 1NO6-voxthresh-3.pdb
97. BindingDB_13960.docklog
98. frag1.mol2
99. 1NO6-voxthresh-4.pdb