Full input and output files for computationally docked structures of congeneric ligands similar to BDBM50303420=QL2 in crystal structure 3I06

1. 3I06-results_BindingDB_50303439.mol2
2. 3I06-voxthresh-5.pdb
3. bdb_3I06_QL2_3D.sdf
4. prot-log.txt
5. 3I06-results.mol2
6. BindingDB_50303420.docklog.mol2
7. BindingDB_50303440.docklog
8. BindingDB_50303440.docklog.results_tab.log
9. BindingDB_50303422.docklog.results_tab.log
10. BindingDB_50303441.mol2
11. BindingDB_50303442.frags.mol2
12. BindingDB_50303436.frags.mol2
13. 3I06-marked-protein.pdb
14. BindingDB_50303422.docklog
15. BindingDB_50303421.docklog.results_tab.log
16. 3I06-results_BindingDB_50303420.mol2
17. BindingDB_50303438.docklog.results_tab.log
18. BindingDB_50303439.frags.mol2
19. 3I06-protomol.mol2
20. BindingDB_50303441.docklog.mol2
21. 3I06-voxthresh-7.pdb
22. BindingDB_50303440.docklog.mol2
23. 3I06-voxthresh-1.pdb
24. BindingDB_50303421.docklog.mol2
25. 3I06-results_BindingDB_50303440.mol2
26. 3I06_ligand0.mol2
27. BindingDB_50303437.frags.mol2
28. 3I06-voxthresh-3.pdb
29. 3I06-results_BindingDB_50303438.mol2
30. 3I06_water.mol2
31. log-results.mol2
32. BindingDB_50303436.docklog.mol2
33. 3I06-voxthresh-9.pdb
34. 3I06-voxthresh-6.pdb
35. 3I06_congener-log.txt
36. BindingDB_50303436.docklog.results_tab.log
37. 3I06.csv
38. BindingDB_50303436.mol2
39. BindingDB_50303422.docklog.mol2
40. BindingDB_50303422.mol2
41. BindingDB_50303441.docklog
42. BindingDB_50303420.docklog.results_tab.log
43. BindingDB_50303421.docklog
44. log-results_tab.log
45. QL2.sdf
46. BindingDB_50303438.docklog.mol2
47. BindingDB_50303438.mol2
48. BindingDB_50303441.docklog.results_tab.log
49. 3I06-voxthresh-10.pdb
50. BindingDB_50303437.docklog.mol2
51. protein_sampling.mol2
52. 3I06-voxthresh-4.pdb
53. bdb_3I06_QL2_sim.txt
54. log
55. 3I06-results_tab.log
56. BindingDB_50303420.mol2
57. 3I06_sdf-log.txt
58. BindingDB_50303442.mol2
59. BindingDB_50303439.docklog.results_tab.log
60. BindingDB_50303421.mol2
61. 3I06-results_BindingDB_50303422.mol2
62. BindingDB_50303442.docklog.results_tab.log
63. BindingDB_50303442.docklog
64. 3I06-voxthresh-0.pdb
65. 3I06.pdb
66. scale
67. 3I06-voxthresh-2.pdb
68. frag2.mol2
69. BindingDB_50303437.docklog
70. prot.mol2
71. 3I06-results_BindingDB_50303437.mol2
72. BindingDB_50303420.docklog
73. 3I06-results_BindingDB_50303421.mol2
74. 3I06-marked-vox.pdb
75. BindingDB_50303437.mol2
76. BindingDB_50303441.frags.mol2
77. 3I06_sdf.mol2
78. 3I06.opt-protein-trim.mol2
79. 3I06-voxthresh-8.pdb
80. BindingDB_50303438.docklog
81. BindingDB_50303422.frags.mol2
82. 3I06_congener.mol2
83. BindingDB_50303436.docklog
84. BindingDB_50303421.frags.mol2
85. BindingDB_50303438.frags.mol2
86. BindingDB_50303420.frags.mol2
87. BindingDB_50303442.docklog.mol2
88. BindingDB_50303439.docklog
89. 3I06.Targets
90. 3I06-results_BindingDB_50303436.mol2
91. BindingDB_50303440.mol2
92. 3I06.mol2
93. BindingDB_50303439.docklog.mol2
94. frag1.mol2
95. 3I06-results_BindingDB_50303441.mol2
96. BindingDB_50303439.mol2
97. BindingDB_50303437.docklog.results_tab.log
98. BindingDB_50303440.frags.mol2