Full input and output files for computationally docked structures of congeneric ligands similar to BDBM10883=I7A in crystal structure 2POU

1. BindingDB_50174036.mol2
2. 2POU_water.mol2
3. 2POU-results_BindingDB_11374.mol2
4. 2POU-voxthresh-6.pdb
5. BindingDB_11609.mol2
6. 2POU-voxthresh-4.pdb
7. BindingDB_50174036.docklog.mol2
8. 2POU-voxthresh-9.pdb
9. prot-log.txt
10. BindingDB_50094333.docklog.mol2
11. BindingDB_50080706.docklog
12. 2POU-results_BindingDB_50025093.mol2
13. BindingDB_10883.docklog.results_tab.log
14. BindingDB_10883.docklog.mol2
15. BindingDB_11609.frags.mol2
16. bdb_2POU_I7A_3D.sdf
17. 2POU-voxthresh-5.pdb
18. BindingDB_11605.frags.mol2
19. BindingDB_12161.docklog.mol2
20. 2POU.pdb
21. BindingDB_11381.docklog.mol2
22. BindingDB_10867.mol2
23. BindingDB_11605.docklog.mol2
24. BindingDB_50079043.frags.mol2
25. BindingDB_50080706.frags.mol2
26. 2POU-voxthresh-7.pdb
27. BindingDB_10867.docklog.mol2
28. BindingDB_11374.docklog.mol2
29. BindingDB_50174036.frags.mol2
30. BindingDB_10867.frags.mol2
31. BindingDB_11608.frags.mol2
32. BindingDB_11608.docklog
33. BindingDB_10863.docklog.results_tab.log
34. BindingDB_11381.frags.mol2
35. 2POU-results_tab.log
36. BindingDB_12161.frags.mol2
37. BindingDB_50025093.mol2
38. log-results.mol2
39. BindingDB_11609.docklog.results_tab.log
40. BindingDB_50174036.docklog.results_tab.log
41. 2POU-voxthresh-2.pdb
42. BindingDB_50025093.docklog
43. BindingDB_10863.docklog.mol2
44. BindingDB_50025093.frags.mol2
45. BindingDB_50079043.docklog.results_tab.log
46. I7A.sdf
47. 2POU-voxthresh-8.pdb
48. BindingDB_50079043.docklog.mol2
49. BindingDB_10883.mol2
50. BindingDB_50079043.mol2
51. 2POU-marked-vox.pdb
52. 2POU_congener.mol2
53. BindingDB_10863.mol2
54. BindingDB_12161.mol2
55. log-results_tab.log
56. 2POU-results_BindingDB_10883.mol2
57. BindingDB_11605.docklog
58. 2POU_congener-log.txt
59. 2POU-marked-protein.pdb
60. BindingDB_11608.docklog.mol2
61. protein_sampling.mol2
62. BindingDB_50094333.mol2
63. BindingDB_50080706.docklog.results_tab.log
64. 2POU-results_BindingDB_12161.mol2
65. 2POU-results.mol2
66. BindingDB_50174036.docklog
67. BindingDB_10863.frags.mol2
68. BindingDB_11374.mol2
69. log
70. BindingDB_11381.docklog.results_tab.log
71. BindingDB_50080706.mol2
72. ligand_sampling.mol2
73. bdb_2POU_I7A_sim.txt
74. 2POU-protomol.mol2
75. 2POU_sdf-log.txt
76. BindingDB_11609.docklog.mol2
77. BindingDB_11605.mol2
78. BindingDB_11374.docklog
79. BindingDB_10867.docklog
80. 2POU-results_BindingDB_10863.mol2
81. scale
82. 2POU-results_BindingDB_11608.mol2
83. frag2.mol2
84. BindingDB_12161.docklog.results_tab.log
85. prot.mol2
86. 2POU-voxthresh-1.pdb
87. 2POU-results_BindingDB_10867.mol2
88. BindingDB_12161.docklog
89. 2POU.csv
90. 2POU_ligand0.mol2
91. BindingDB_50094333.docklog
92. BindingDB_50079043.docklog
93. BindingDB_10883.docklog
94. 2POU-voxthresh-10.pdb
95. 2POU-voxthresh-3.pdb
96. BindingDB_50080706.docklog.mol2
97. BindingDB_11608.mol2
98. BindingDB_11374.docklog.results_tab.log
99. BindingDB_11381.mol2
100. 2POU_sdf.mol2
101. BindingDB_50025093.docklog.results_tab.log
102. BindingDB_10867.docklog.results_tab.log
103. BindingDB_11609.docklog
104. BindingDB_50025093.docklog.mol2
105. 2POU.mol2
106. BindingDB_11605.docklog.results_tab.log
107. BindingDB_50094333.frags.mol2
108. BindingDB_11381.docklog
109. BindingDB_10863.docklog
110. BindingDB_50094333.docklog.results_tab.log
111. BindingDB_11374.frags.mol2
112. 2POU-voxthresh-0.pdb
113. BindingDB_11608.docklog.results_tab.log
114. BindingDB_10883.frags.mol2
115. 2POU.opt-protein-trim.mol2
116. frag1.mol2
117. 2POU.Targets