Full input and output files for computationally docked structures of congeneric ligands similar to BDBM27878=AXA in crystal structure 3DNG

1. 3DNG.csv
2. 3DNG-voxthresh-4.pdb
3. BindingDB_50386430.mol2
4. prot-log.txt
5. BindingDB_50078935.frags.mol2
6. BindingDB_50078935.mol2
7. BindingDB_50386430.docklog
8. BindingDB_50082481.docklog.mol2
9. BindingDB_50077418.docklog.results_tab.log
10. 3DNG-voxthresh-2.pdb
11. 3DNG_sdf-log.txt
12. BindingDB_50386430.docklog.results_tab.log
13. BindingDB_50078950.mol2
14. BindingDB_50082463.docklog.results_tab.log
15. BindingDB_50077396.docklog.mol2
16. BindingDB_50077396.mol2
17. BindingDB_50078950.docklog.results_tab.log
18. BindingDB_50082463.docklog
19. 3DNG-marked-protein.pdb
20. 3DNG.opt-protein-trim.mol2
21. 3DNG-voxthresh-3.pdb
22. 3DNG-voxthresh-8.pdb
23. BindingDB_50078932.docklog
24. BindingDB_50077418.mol2
25. BindingDB_50077417.docklog
26. 3DNG-results_BindingDB_27878.mol2
27. BindingDB_50082481.frags.mol2
28. BindingDB_50078938.docklog.mol2
29. BindingDB_50077396.docklog.results_tab.log
30. BindingDB_50082504.docklog
31. BindingDB_50078938.mol2
32. BindingDB_50077418.docklog.mol2
33. log-results.mol2
34. BindingDB_50078938.frags.mol2
35. BindingDB_50077417.docklog.results_tab.log
36. BindingDB_50078932.frags.mol2
37. bdb_3DNG_AXA_sim.txt
38. BindingDB_50078950.frags.mol2
39. BindingDB_27877.mol2
40. BindingDB_50078932.docklog.results_tab.log
41. BindingDB_27877.docklog.mol2
42. BindingDB_27878.mol2
43. BindingDB_50077418.docklog
44. BindingDB_50077417.frags.mol2
45. BindingDB_50082481.docklog.results_tab.log
46. BindingDB_27878.docklog.mol2
47. 3DNG-results_tab.log
48. BindingDB_27878.frags.mol2
49. log-results_tab.log
50. BindingDB_50386430.frags.mol2
51. BindingDB_50078935.docklog.mol2
52. BindingDB_50082504.docklog.mol2
53. BindingDB_50078932.mol2
54. BindingDB_50082463.mol2
55. protein_sampling.mol2
56. BindingDB_50078935.docklog
57. 3DNG_congener.mol2
58. BindingDB_50078932.docklog.mol2
59. 3DNG-voxthresh-5.pdb
60. BindingDB_50078938.docklog.results_tab.log
61. BindingDB_27878.docklog
62. BindingDB_27877.docklog.results_tab.log
63. BindingDB_50077417.docklog.mol2
64. log
65. 3DNG-voxthresh-6.pdb
66. ligand_sampling.mol2
67. 3DNG-protomol.mol2
68. 3DNG-voxthresh-9.pdb
69. BindingDB_27878.docklog.results_tab.log
70. 3DNG-voxthresh-7.pdb
71. 3DNG_congener-log.txt
72. BindingDB_50078935.docklog.results_tab.log
73. BindingDB_50078950.docklog.mol2
74. scale
75. frag2.mol2
76. BindingDB_50082463.docklog.mol2
77. prot.mol2
78. BindingDB_50082504.mol2
79. 3DNG-marked-vox.pdb
80. 3DNG.pdb
81. BindingDB_50077396.frags.mol2
82. 3DNG_ligand0.mol2
83. BindingDB_50078950.docklog
84. BindingDB_50077396.docklog
85. BindingDB_50082504.frags.mol2
86. 3DNG.mol2
87. 3DNG-voxthresh-1.pdb
88. BindingDB_50386430.docklog.mol2
89. 3DNG-results_BindingDB_27877.mol2
90. BindingDB_50082463.frags.mol2
91. 3DNG_water.mol2
92. BindingDB_50082481.docklog
93. bdb_3DNG_AXA_3D.sdf
94. BindingDB_50078938.docklog
95. 3DNG-results.mol2
96. 3DNG-voxthresh-0.pdb
97. BindingDB_50082504.docklog.results_tab.log
98. 3DNG_sdf.mol2
99. BindingDB_50077417.mol2
100. BindingDB_27877.docklog
101. 3DNG.Targets
102. BindingDB_50082481.mol2
103. AXA.sdf
104. BindingDB_50077418.frags.mol2
105. BindingDB_27877.frags.mol2
106. frag1.mol2