Full input and output files for computationally docked structures of congeneric ligands similar to BDBM50328924=LPO in crystal structure 3OAD

1. BindingDB_50328908.docklog
2. 3OAD-voxthresh-0.pdb
3. bdb_3OAD_LPO_sim.txt
4. prot-log.txt
5. 3OAD-results.mol2
6. BindingDB_50328847.docklog.mol2
7. BindingDB_50328852.docklog.mol2
8. BindingDB_50328910.docklog
9. BindingDB_50328907.frags.mol2
10. BindingDB_50328852.docklog.results_tab.log
11. BindingDB_50328852.mol2
12. 3OAD.opt-protein-trim.mol2
13. BindingDB_50328851.mol2
14. 3OAD-voxthresh-10.pdb
15. BindingDB_50328905.docklog
16. BindingDB_50328924.docklog
17. 3OAD-protomol.mol2
18. 3OAD-results_BindingDB_50328865.mol2
19. 3OAD-voxthresh-7.pdb
20. BindingDB_50328847.docklog.results_tab.log
21. 3OAD-results_BindingDB_50328907.mol2
22. 3OAD-marked-protein.pdb
23. 3OAD_sdf-log.txt
24. 3OAD-marked-vox.pdb
25. BindingDB_50328865.mol2
26. BindingDB_50328876.docklog.mol2
27. 3OAD-results_BindingDB_50328909.mol2
28. BindingDB_50328876.docklog.results_tab.log
29. 3OAD.Targets
30. BindingDB_50328848.mol2
31. 3OAD.pdb
32. 3OAD-voxthresh-3.pdb
33. 3OAD-voxthresh-1.pdb
34. BindingDB_50328908.frags.mol2
35. BindingDB_50328848.docklog
36. BindingDB_50328904.docklog.mol2
37. BindingDB_50328848.docklog.results_tab.log
38. BindingDB_50328876.frags.mol2
39. BindingDB_50328846.docklog
40. BindingDB_50328909.mol2
41. BindingDB_50328905.docklog.results_tab.log
42. BindingDB_50328852.docklog
43. 3OAD-results_BindingDB_50328908.mol2
44. log-results.mol2
45. BindingDB_50328904.frags.mol2
46. BindingDB_50328907.docklog
47. BindingDB_50328865.docklog.results_tab.log
48. 3OAD-results_BindingDB_50328846.mol2
49. 3OAD.csv
50. BindingDB_50328876.mol2
51. BindingDB_50328906.frags.mol2
52. BindingDB_50328851.docklog
53. bdb_3OAD_LPO_3D.sdf
54. 3OAD.mol2
55. BindingDB_50328904.docklog
56. BindingDB_50328847.mol2
57. 3OAD_ligand1.mol2
58. log-results_tab.log
59. BindingDB_50328909.docklog.results_tab.log
60. 3OAD-results_BindingDB_50328847.mol2
61. 3OAD_water.mol2
62. 3OAD-results_tab.log
63. protein_sampling.mol2
64. BindingDB_50328851.docklog.results_tab.log
65. 3OAD-voxthresh-9.pdb
66. 3OAD-results_BindingDB_50328848.mol2
67. BindingDB_50328906.mol2
68. 3OAD-results_BindingDB_50328910.mol2
69. BindingDB_50328846.docklog.results_tab.log
70. BindingDB_50328909.frags.mol2
71. BindingDB_50328907.mol2
72. BindingDB_50328906.docklog
73. BindingDB_50328906.docklog.results_tab.log
74. 3OAD_congener.mol2
75. BindingDB_50328908.mol2
76. log
77. 3OAD-voxthresh-6.pdb
78. BindingDB_50328906.docklog.mol2
79. ligand_sampling.mol2
80. BindingDB_50328846.docklog.mol2
81. BindingDB_50328924.mol2
82. BindingDB_50328924.docklog.results_tab.log
83. LPO.sdf
84. BindingDB_50328909.docklog
85. 3OAD-voxthresh-5.pdb
86. BindingDB_50328851.docklog.mol2
87. 3OAD-voxthresh-4.pdb
88. BindingDB_50328876.docklog
89. 3OAD-results_BindingDB_50328906.mol2
90. BindingDB_50328910.frags.mol2
91. BindingDB_50328904.mol2
92. BindingDB_50328907.docklog.results_tab.log
93. BindingDB_50328865.frags.mol2
94. BindingDB_50328848.docklog.mol2
95. scale
96. BindingDB_50328905.docklog.mol2
97. frag2.mol2
98. 3OAD-results_BindingDB_50328905.mol2
99. 3OAD_congener-log.txt
100. 3OAD-results_BindingDB_50328851.mol2
101. BindingDB_50328908.docklog.results_tab.log
102. BindingDB_50328852.frags.mol2
103. BindingDB_50328851.frags.mol2
104. BindingDB_50328908.docklog.mol2
105. BindingDB_50328909.docklog.mol2
106. BindingDB_50328846.frags.mol2
107. BindingDB_50328905.frags.mol2
108. UnDockable.list
109. BindingDB_50328924.frags.mol2
110. BindingDB_50328865.docklog.mol2
111. BindingDB_50328846.mol2
112. 3OAD-results_BindingDB_50328904.mol2
113. BindingDB_50328904.docklog.results_tab.log
114. 3OAD-voxthresh-8.pdb
115. BindingDB_50328924.docklog.mol2
116. BindingDB_50328848.frags.mol2
117. 3OAD_ligand0.mol2
118. BindingDB_50328910.mol2
119. BindingDB_50328910.docklog.results_tab.log
120. 3OAD_sdf.mol2
121. BindingDB_50328907.docklog.mol2
122. 3OAD-results_BindingDB_50328924.mol2
123. 3OAD-voxthresh-2.pdb
124. BindingDB_50328865.docklog
125. BindingDB_50328905.mol2
126. frag1.mol2
127. BindingDB_50328847.docklog
128. BindingDB_50328847.frags.mol2
129. 3OAD-results_BindingDB_50328852.mol2
130. BindingDB_50328910.docklog.mol2