Full input and output files for computationally docked structures of congeneric ligands similar to BDBM12414=FB2 in crystal structure 2WEJ

1. BindingDB_11383.frags.mol2
2. 2WEJ-voxthresh-6.pdb
3. 2WEJ_sdf-log.txt
4. BindingDB_50079047.frags.mol2
5. BindingDB_10859.docklog.results_tab.log
6. 2WEJ_ligand0.mol2
7. prot-log.txt
8. BindingDB_50160668.docklog.mol2
9. FB2.sdf
10. 2WEJ-voxthresh-5.pdb
11. BindingDB_10857.frags.mol2
12. 2WEJ-voxthresh-0.pdb
13. BindingDB_50160668.docklog.results_tab.log
14. bdb_2WEJ_FB2_sim.txt
15. BindingDB_11376.docklog.results_tab.log
16. 2WEJ-results_BindingDB_11372.mol2
17. BindingDB_50155502.docklog.results_tab.log
18. 2WEJ_ligand1.mol2
19. BindingDB_10855.docklog.mol2
20. BindingDB_11376.docklog
21. BindingDB_11374.docklog.mol2
22. BindingDB_11372.mol2
23. 2WEJ-voxthresh-1.pdb
24. 2WEJ-voxthresh-3.pdb
25. 2WEJ-results_BindingDB_10857.mol2
26. BindingDB_11383.mol2
27. BindingDB_50125192.docklog.mol2
28. BindingDB_10855.frags.mol2
29. BindingDB_10855.docklog.results_tab.log
30. BindingDB_50025093.mol2
31. log-results.mol2
32. BindingDB_50025093.docklog
33. 2WEJ-results_tab.log
34. BindingDB_12414.frags.mol2
35. BindingDB_50079047.docklog.mol2
36. BindingDB_50025093.frags.mol2
37. 2WEJ-results_BindingDB_12414.mol2
38. BindingDB_11372.frags.mol2
39. BindingDB_10859.docklog.mol2
40. BindingDB_12414.mol2
41. BindingDB_11376.mol2
42. BindingDB_10855.mol2
43. 2WEJ.Targets
44. BindingDB_50079047.docklog
45. BindingDB_10857.docklog.mol2
46. BindingDB_50155502.docklog
47. BindingDB_12414.docklog.mol2
48. log-results_tab.log
49. BindingDB_11376.frags.mol2
50. BindingDB_10859.docklog
51. 2WEJ-results_BindingDB_10855.mol2
52. BindingDB_50160668.mol2
53. BindingDB_11372.docklog.results_tab.log
54. protein_sampling.mol2
55. BindingDB_11376.docklog.mol2
56. 2WEJ_sdf.mol2
57. BindingDB_50155502.mol2
58. BindingDB_10857.docklog
59. BindingDB_11383.docklog
60. BindingDB_11374.mol2
61. BindingDB_10857.mol2
62. log
63. 2WEJ-results_BindingDB_10859.mol2
64. 2WEJ-results.mol2
65. ligand_sampling.mol2
66. BindingDB_10859.frags.mol2
67. 2WEJ-results_BindingDB_11374.mol2
68. BindingDB_11372.docklog.mol2
69. BindingDB_10855.docklog
70. BindingDB_50160668.frags.mol2
71. BindingDB_12414.docklog
72. BindingDB_12414.docklog.results_tab.log
73. BindingDB_50125192.frags.mol2
74. BindingDB_50160668.docklog
75. BindingDB_11374.docklog
76. scale
77. BindingDB_50079047.mol2
78. frag2.mol2
79. BindingDB_10859.mol2
80. prot.mol2
81. BindingDB_50155502.docklog.mol2
82. 2WEJ-marked-protein.pdb
83. 2WEJ-voxthresh-4.pdb
84. BindingDB_11383.docklog.mol2
85. BindingDB_50155502.frags.mol2
86. BindingDB_50079047.docklog.results_tab.log
87. BindingDB_11372.docklog
88. 2WEJ_water.mol2
89. 2WEJ_congener.mol2
90. BindingDB_11383.docklog.results_tab.log
91. BindingDB_10857.docklog.results_tab.log
92. 2WEJ-voxthresh-2.pdb
93. 2WEJ.opt-protein-trim.mol2
94. BindingDB_11374.docklog.results_tab.log
95. BindingDB_50025093.docklog.results_tab.log
96. 2WEJ.pdb
97. BindingDB_50025093.docklog.mol2
98. 2WEJ-voxthresh-9.pdb
99. BindingDB_50125192.docklog.results_tab.log
100. 2WEJ.mol2
101. BindingDB_50125192.docklog
102. BindingDB_50125192.mol2
103. bdb_2WEJ_FB2_3D.sdf
104. BindingDB_11374.frags.mol2
105. 2WEJ-voxthresh-7.pdb
106. 2WEJ.csv
107. 2WEJ-voxthresh-8.pdb
108. frag1.mol2
109. 2WEJ_congener-log.txt
110. 2WEJ-protomol.mol2
111. 2WEJ-marked-vox.pdb