Full input and output files for computationally docked structures of congeneric ligands similar to BDBM50329018=SSR in crystal structure 3OOT

1. BindingDB_50329010.docklog.mol2
2. BindingDB_50329008.frags.mol2
3. BindingDB_50419724.docklog.mol2
4. prot-log.txt
5. BindingDB_50352905.docklog
6. BindingDB_50419724.docklog
7. BindingDB_50329017.mol2
8. 3OOT-results_tab.log
9. BindingDB_50329048.frags.mol2
10. BindingDB_50329010.docklog
11. BindingDB_50329018.docklog.results_tab.log
12. BindingDB_50353003.frags.mol2
13. BindingDB_50352892.frags.mol2
14. 3OOT-results_BindingDB_50329048.mol2
15. 3OOT-voxthresh-8.pdb
16. BindingDB_50329009.frags.mol2
17. BindingDB_50329010.mol2
18. BindingDB_50329009.docklog
19. BindingDB_50352905.docklog.results_tab.log
20. 3OOT-voxthresh-4.pdb
21. 3OOT-results_BindingDB_50329010.mol2
22. 3OOT-voxthresh-0.pdb
23. 3OOT.opt-protein-trim.mol2
24. BindingDB_50419724.frags.mol2
25. BindingDB_50329015.docklog.results_tab.log
26. BindingDB_50329018.docklog.mol2
27. BindingDB_50329047.docklog
28. BindingDB_50329017.docklog.mol2
29. BindingDB_50352905.frags.mol2
30. 3OOT-voxthresh-10.pdb
31. BindingDB_50329008.mol2
32. BindingDB_50329047.docklog.mol2
33. BindingDB_50329015.frags.mol2
34. log-results.mol2
35. bdb_3OOT_SSR_sim.txt
36. BindingDB_50329015.mol2
37. 3OOT-protomol.mol2
38. 3OOT-voxthresh-1.pdb
39. 3OOT-marked-protein.pdb
40. 3OOT-results_BindingDB_50329009.mol2
41. BindingDB_50329010.frags.mol2
42. BindingDB_50329017.docklog.results_tab.log
43. 3OOT-results_BindingDB_50329027.mol2
44. 3OOT-voxthresh-3.pdb
45. 3OOT-voxthresh-9.pdb
46. 3OOT.csv
47. BindingDB_50329008.docklog.results_tab.log
48. BindingDB_50329027.docklog.results_tab.log
49. 3OOT-marked-vox.pdb
50. BindingDB_50329015.docklog.mol2
51. BindingDB_50419724.docklog.results_tab.log
52. BindingDB_50352892.docklog
53. 3OOT.Targets
54. 3OOT-voxthresh-5.pdb
55. log-results_tab.log
56. BindingDB_50352905.mol2
57. BindingDB_50329008.docklog
58. 3OOT-results.mol2
59. BindingDB_50329027.mol2
60. BindingDB_50352892.mol2
61. protein_sampling.mol2
62. 3OOT_congener-log.txt
63. 3OOT-results_BindingDB_50329046.mol2
64. BindingDB_50329016.mol2
65. BindingDB_50352905.docklog.mol2
66. BindingDB_50329048.docklog
67. BindingDB_50353003.mol2
68. log
69. BindingDB_50329009.docklog.mol2
70. ligand_sampling.mol2
71. BindingDB_50329009.docklog.results_tab.log
72. BindingDB_50329027.frags.mol2
73. BindingDB_50329046.mol2
74. BindingDB_50329048.docklog.results_tab.log
75. bdb_3OOT_SSR_3D.sdf
76. BindingDB_50329046.docklog
77. SSR.sdf
78. scale
79. frag2.mol2
80. BindingDB_50329046.docklog.results_tab.log
81. 3OOT_congener.mol2
82. 3OOT_ligand1.mol2
83. prot.mol2
84. BindingDB_50329027.docklog.mol2
85. BindingDB_50329016.docklog.mol2
86. BindingDB_50419724.mol2
87. 3OOT-results_BindingDB_50329018.mol2
88. 3OOT-results_BindingDB_50329017.mol2
89. 3OOT_sdf.mol2
90. BindingDB_50329047.docklog.results_tab.log
91. BindingDB_50353003.docklog.mol2
92. BindingDB_50329015.docklog
93. BindingDB_50352892.docklog.mol2
94. 3OOT.pdb
95. BindingDB_50329048.mol2
96. 3OOT-results_BindingDB_50329016.mol2
97. BindingDB_50353003.docklog.results_tab.log
98. BindingDB_50329016.frags.mol2
99. BindingDB_50329010.docklog.results_tab.log
100. BindingDB_50329047.mol2
101. UnDockable.list
102. BindingDB_50352892.docklog.results_tab.log
103. BindingDB_50329018.docklog
104. 3OOT-results_BindingDB_50329015.mol2
105. BindingDB_50329008.docklog.mol2
106. 3OOT-voxthresh-6.pdb
107. BindingDB_50329016.docklog
108. BindingDB_50329017.frags.mol2
109. 3OOT_ligand0.mol2
110. BindingDB_50329018.frags.mol2
111. 3OOT.mol2
112. 3OOT-results_BindingDB_50352905.mol2
113. 3OOT_sdf-log.txt
114. BindingDB_50329018.mol2
115. 3OOT_water.mol2
116. BindingDB_50329046.docklog.mol2
117. BindingDB_50329017.docklog
118. BindingDB_50329009.mol2
119. BindingDB_50329048.docklog.mol2
120. 3OOT-voxthresh-7.pdb
121. BindingDB_50329047.frags.mol2
122. BindingDB_50329027.docklog
123. frag1.mol2
124. BindingDB_50329046.frags.mol2
125. BindingDB_50329016.docklog.results_tab.log
126. 3OOT-results_BindingDB_50329047.mol2
127. BindingDB_50353003.docklog
128. 3OOT-voxthresh-2.pdb