Full input and output files for computationally docked structures of congeneric ligands similar to BDBM5550=N76 in crystal structure 1OIU

1. 1OIU-results_BindingDB_5530.mol2
2. BindingDB_5546.docklog.mol2
3. 1OIU-voxthresh-5.pdb
4. prot-log.txt
5. BindingDB_5530.mol2
6. BindingDB_5541.docklog.mol2
7. BindingDB_5543.frags.mol2
8. BindingDB_5533.frags.mol2
9. BindingDB_5532.docklog.results_tab.log
10. 1OIU-results_BindingDB_5550.mol2
11. BindingDB_5546.mol2
12. 1OIU_sdf.mol2
13. 1OIU-results_BindingDB_5538.mol2
14. BindingDB_5544.mol2
15. BindingDB_5541.docklog
16. 1OIU.Targets
17. BindingDB_5532.mol2
18. BindingDB_5543.docklog
19. 1OIU-results_BindingDB_5544.mol2
20. 1OIU-voxthresh-7.pdb
21. BindingDB_5550.docklog
22. BindingDB_5539.docklog.mol2
23. 1OIU-results.mol2
24. 1OIU-voxthresh-8.pdb
25. BindingDB_5541.docklog.results_tab.log
26. BindingDB_5543.mol2
27. 1OIU.opt-protein-trim.mol2
28. log-results.mol2
29. BindingDB_5549.mol2
30. bdb_1OIU_N76_3D.sdf
31. BindingDB_5530.docklog.results_tab.log
32. 1OIU-results_BindingDB_5549.mol2
33. BindingDB_5543.docklog.mol2
34. BindingDB_5542.docklog.results_tab.log
35. BindingDB_5546.docklog
36. BindingDB_5546.frags.mol2
37. 1OIU-voxthresh-10.pdb
38. N76.sdf
39. BindingDB_5541.mol2
40. BindingDB_5545.docklog.mol2
41. 1OIU-voxthresh-0.pdb
42. BindingDB_5539.frags.mol2
43. 1OIU-protomol.mol2
44. log-results_tab.log
45. 1OIU_water.mol2
46. BindingDB_5549.docklog
47. BindingDB_5542.frags.mol2
48. BindingDB_5538.mol2
49. BindingDB_5538.docklog
50. 1OIU-marked-protein.pdb
51. BindingDB_5547.mol2
52. 1OIU-results_BindingDB_5542.mol2
53. BindingDB_5530.docklog.mol2
54. 1OIU.csv
55. BindingDB_5539.mol2
56. BindingDB_5550.frags.mol2
57. BindingDB_5538.docklog.mol2
58. BindingDB_5546.docklog.results_tab.log
59. BindingDB_5545.mol2
60. BindingDB_5542.mol2
61. BindingDB_5533.mol2
62. log
63. 1OIU-voxthresh-6.pdb
64. BindingDB_5544.frags.mol2
65. 1OIU-voxthresh-1.pdb
66. ligand_sampling.mol2
67. BindingDB_5547.docklog.results_tab.log
68. BindingDB_5533.docklog.results_tab.log
69. 1OIU_ligand1.mol2
70. BindingDB_5544.docklog.mol2
71. BindingDB_5550.mol2
72. BindingDB_5544.docklog
73. BindingDB_5545.docklog
74. BindingDB_5542.docklog.mol2
75. 1OIU-voxthresh-4.pdb
76. 1OIU_ligand0.mol2
77. BindingDB_5548.mol2
78. 1OIU_congener.mol2
79. scale
80. BindingDB_5539.docklog
81. frag2.mol2
82. BindingDB_5530.frags.mol2
83. prot.mol2
84. 1OIU-results_tab.log
85. BindingDB_5541.frags.mol2
86. 1OIU_congener-log.txt
87. 1OIU_ligand2.mol2
88. BindingDB_5548.docklog.results_tab.log
89. BindingDB_5547.docklog.mol2
90. BindingDB_5532.docklog
91. BindingDB_5548.docklog
92. 1OIU-voxthresh-3.pdb
93. 1OIU-results_BindingDB_5541.mol2
94. BindingDB_5548.frags.mol2
95. 1OIU.mol2
96. BindingDB_5533.docklog
97. 1OIU_sdf-log.txt
98. BindingDB_5549.docklog.results_tab.log
99. 1OIU-results_BindingDB_5533.mol2
100. BindingDB_5530.docklog
101. 1OIU-marked-vox.pdb
102. BindingDB_5538.docklog.results_tab.log
103. 1OIU-results_BindingDB_5547.mol2
104. BindingDB_5547.frags.mol2
105. BindingDB_5549.frags.mol2
106. 1OIU-voxthresh-9.pdb
107. 1OIU-results_BindingDB_5545.mol2
108. BindingDB_5532.docklog.mol2
109. 1OIU-voxthresh-2.pdb
110. 1OIU-results_BindingDB_5548.mol2
111. BindingDB_5544.docklog.results_tab.log
112. BindingDB_5539.docklog.results_tab.log
113. BindingDB_5542.docklog
114. BindingDB_5550.docklog.results_tab.log
115. BindingDB_5545.frags.mol2
116. BindingDB_5550.docklog.mol2
117. BindingDB_5545.docklog.results_tab.log
118. 1OIU-results_BindingDB_5546.mol2
119. BindingDB_5532.frags.mol2
120. frag1.mol2
121. 1OIU.pdb
122. BindingDB_5543.docklog.results_tab.log
123. BindingDB_5547.docklog
124. BindingDB_5548.docklog.mol2
125. BindingDB_5533.docklog.mol2
126. BindingDB_5549.docklog.mol2
127. BindingDB_5538.frags.mol2
128. bdb_1OIU_N76_sim.txt