Full input and output files for computationally docked structures of congeneric ligands similar to BDBM13017=SKF in crystal structure 1HNN

1. BindingDB_50151331.frags.mol2
2. BindingDB_50186677.docklog
3. prot-log.txt
4. 1HNN-voxthresh-3.pdb
5. 1HNN-marked-protein.pdb
6. BindingDB_50186677.docklog.mol2
7. BindingDB_50061313.frags.mol2
8. 1HNN-voxthresh-0.pdb
9. 1HNN-voxthresh-4.pdb
10. BindingDB_50061313.docklog.mol2
11. BindingDB_50061313.docklog
12. 1HNN-results_BindingDB_13018.mol2
13. BindingDB_50240933.docklog.mol2
14. 1HNN-results_BindingDB_13017.mol2
15. 1HNN-results_BindingDB_50163105.mol2
16. BindingDB_13029.docklog
17. BindingDB_13017.frags.mol2
18. BindingDB_50061313.docklog.results_tab.log
19. BindingDB_50061313.mol2
20. BindingDB_50151331.docklog.mol2
21. 1HNN-voxthresh-1.pdb
22. 1HNN-marked-vox.pdb
23. BindingDB_13023.docklog.results_tab.log
24. BindingDB_50240933.docklog
25. BindingDB_50240933.docklog.results_tab.log
26. 1HNN-results_tab.log
27. 1HNN-voxthresh-9.pdb
28. BindingDB_50174122.docklog.results_tab.log
29. 1HNN-results.mol2
30. BindingDB_13023.docklog
31. 1HNN_water.mol2
32. BindingDB_50174122.docklog
33. log-results.mol2
34. BindingDB_13018.frags.mol2
35. 1HNN-voxthresh-7.pdb
36. BindingDB_50151331.mol2
37. BindingDB_13029.docklog.mol2
38. 1HNN_ligand1.mol2
39. 1HNN_sdf-log.txt
40. 1HNN-voxthresh-2.pdb
41. 1HNN-results_BindingDB_50174122.mol2
42. 1HNN.Targets
43. BindingDB_50240933.mol2
44. BindingDB_50240933.frags.mol2
45. BindingDB_50163105.docklog.results_tab.log
46. log-results_tab.log
47. BindingDB_13017.docklog.results_tab.log
48. BindingDB_13018.docklog
49. BindingDB_50163105.mol2
50. protein_sampling.mol2
51. 1HNN-voxthresh-5.pdb
52. BindingDB_13029.docklog.results_tab.log
53. BindingDB_50163105.frags.mol2
54. BindingDB_13017.docklog
55. 1HNN_ligand0.mol2
56. log
57. 1HNN-results_BindingDB_50186677.mol2
58. BindingDB_13029.frags.mol2
59. BindingDB_13018.docklog.mol2
60. BindingDB_50151331.docklog.results_tab.log
61. SKF.sdf
62. 1HNN-voxthresh-8.pdb
63. 1HNN_sdf.mol2
64. 1HNN-protomol.mol2
65. scale
66. frag2.mol2
67. BindingDB_50163105.docklog
68. BindingDB_50163105.docklog.mol2
69. BindingDB_13017.mol2
70. prot.mol2
71. 1HNN.opt-protein-trim.mol2
72. BindingDB_13018.docklog.results_tab.log
73. 1HNN-results_BindingDB_50061313.mol2
74. BindingDB_13023.frags.mol2
75. 1HNN-results_BindingDB_13029.mol2
76. BindingDB_50151331.docklog
77. BindingDB_13023.mol2
78. 1HNN-results_BindingDB_13023.mol2
79. 1HNN.pdb
80. BindingDB_50174122.mol2
81. BindingDB_13018.mol2
82. bdb_1HNN_SKF_sim.txt
83. BindingDB_50174122.frags.mol2
84. BindingDB_50186677.mol2
85. BindingDB_50174122.docklog.mol2
86. 1HNN.csv
87. BindingDB_13017.docklog.mol2
88. BindingDB_50186677.frags.mol2
89. BindingDB_50186677.docklog.results_tab.log
90. 1HNN_congener-log.txt
91. frag1.mol2
92. BindingDB_13029.mol2
93. 1HNN_congener.mol2
94. 1HNN-voxthresh-6.pdb
95. bdb_1HNN_SKF_3D.sdf
96. 1HNN-results_BindingDB_50151331.mol2
97. BindingDB_13023.docklog.mol2
98. 1HNN.mol2