Full input and output files for computationally docked structures of congeneric ligands similar to BDBM13469=DFJ in crystal structure 2CNE

1. 2CNE-results_BindingDB_50341987.mol2
2. BindingDB_50131104.docklog.results_tab.log
3. prot-log.txt
4. BindingDB_50341987.mol2
5. 2CNE_sdf-log.txt
6. BindingDB_13471.docklog.results_tab.log
7. BindingDB_50103243.docklog.mol2
8. 2CNE-results.mol2
9. BindingDB_13469.docklog.results_tab.log
10. 2CNE-protomol.mol2
11. BindingDB_13470.mol2
12. BindingDB_50379185.docklog.results_tab.log
13. 2CNE-marked-protein.pdb
14. BindingDB_50131104.docklog.mol2
15. BindingDB_13470.frags.mol2
16. 2CNE_water.mol2
17. BindingDB_50243240.frags.mol2
18. BindingDB_50379185.frags.mol2
19. BindingDB_13472.docklog.mol2
20. BindingDB_50379185.docklog.mol2
21. BindingDB_13470.docklog.results_tab.log
22. BindingDB_50103243.docklog.results_tab.log
23. bdb_2CNE_DFJ_3D.sdf
24. BindingDB_50341987.docklog.results_tab.log
25. BindingDB_50131104.frags.mol2
26. 2CNE-voxthresh-5.pdb
27. BindingDB_13470.docklog
28. BindingDB_50341987.docklog.mol2
29. BindingDB_50103243.frags.mol2
30. log-results.mol2
31. BindingDB_50088877.docklog
32. 2CNE-results_BindingDB_50131104.mol2
33. 2CNE_ligand1.mol2
34. BindingDB_13468.docklog.results_tab.log
35. 2CNE.csv
36. bdb_2CNE_DFJ_sim.txt
37. BindingDB_13470.docklog.mol2
38. BindingDB_13468.docklog.mol2
39. BindingDB_50341987.docklog
40. BindingDB_50131550.docklog
41. 2CNE-results_BindingDB_50131550.mol2
42. 2CNE-voxthresh-1.pdb
43. 2CNE-voxthresh-0.pdb
44. BindingDB_50088877.docklog.results_tab.log
45. BindingDB_50379185.docklog
46. log-results_tab.log
47. BindingDB_13468.mol2
48. 2CNE-voxthresh-4.pdb
49. 2CNE-results_BindingDB_13472.mol2
50. BindingDB_13468.frags.mol2
51. 2CNE-voxthresh-6.pdb
52. protein_sampling.mol2
53. BindingDB_50088877.frags.mol2
54. 2CNE-results_BindingDB_50088877.mol2
55. BindingDB_13471.mol2
56. 2CNE_congener-log.txt
57. BindingDB_50103243.docklog
58. 2CNE-results_BindingDB_50243240.mol2
59. 2CNE.mol2
60. BindingDB_50243240.docklog.mol2
61. log
62. 2CNE.opt-protein-trim.mol2
63. BindingDB_50088877.mol2
64. BindingDB_13469.mol2
65. BindingDB_13469.docklog
66. BindingDB_50243240.docklog
67. 2CNE-results_BindingDB_13468.mol2
68. 2CNE.pdb
69. BindingDB_50131550.frags.mol2
70. 2CNE_ligand0.mol2
71. 2CNE-results_BindingDB_13470.mol2
72. 2CNE-marked-vox.pdb
73. BindingDB_50088877.docklog.mol2
74. BindingDB_13472.docklog
75. BindingDB_13468.docklog
76. 2CNE_ligand3.mol2
77. 2CNE-results_BindingDB_13469.mol2
78. 2CNE-voxthresh-8.pdb
79. BindingDB_50131550.mol2
80. BindingDB_50131104.docklog
81. 2CNE-results_tab.log
82. scale
83. BindingDB_50243240.mol2
84. BindingDB_13472.mol2
85. frag2.mol2
86. prot.mol2
87. 2CNE-results_BindingDB_13471.mol2
88. 2CNE_congener.mol2
89. BindingDB_13469.frags.mol2
90. BindingDB_13471.frags.mol2
91. BindingDB_50131104.mol2
92. BindingDB_13469.docklog.mol2
93. 2CNE_ligand2.mol2
94. BindingDB_50243240.docklog.results_tab.log
95. BindingDB_50341987.frags.mol2
96. BindingDB_13472.docklog.results_tab.log
97. 2CNE.Targets
98. BindingDB_50131550.docklog.mol2
99. DFJ.sdf
100. 2CNE-voxthresh-7.pdb
101. BindingDB_13472.frags.mol2
102. BindingDB_13471.docklog.mol2
103. 2CNE_sdf.mol2
104. BindingDB_13471.docklog
105. 2CNE-voxthresh-3.pdb
106. 2CNE-voxthresh-2.pdb
107. BindingDB_50379185.mol2
108. frag1.mol2
109. BindingDB_50103243.mol2
110. 2CNE-voxthresh-9.pdb
111. BindingDB_50131550.docklog.results_tab.log