Full input and output files for computationally docked structures of congeneric ligands similar to BDBM50180135=TL5 in crystal structure 2AQ7

1. 2AQ7_ligand0.mol2
2. BindingDB_50180116.frags.mol2
3. BindingDB_50180130.docklog
4. BindingDB_50180123.docklog.results_tab.log
5. BindingDB_50180116.docklog.results_tab.log
6. prot-log.txt
7. BindingDB_50180123.docklog.mol2
8. 2AQ7-results.mol2
9. 2AQ7-results_BindingDB_50138281.mol2
10. BindingDB_50138281.docklog
11. 2AQ7_ligand1.mol2
12. 2AQ7-results_BindingDB_50180130.mol2
13. BindingDB_50180127.docklog.mol2
14. BindingDB_50180127.frags.mol2
15. BindingDB_50180122.docklog
16. 2AQ7-results_BindingDB_50180103.mol2
17. BindingDB_50180122.frags.mol2
18. 2AQ7-results_tab.log
19. 2AQ7-voxthresh-0.pdb
20. BindingDB_50180103.docklog.mol2
21. BindingDB_50180110.docklog
22. BindingDB_50180103.docklog.results_tab.log
23. 2AQ7-voxthresh-10.pdb
24. BindingDB_50180110.docklog.mol2
25. log-results.mol2
26. BindingDB_50138281.docklog.mol2
27. BindingDB_50138281.mol2
28. 2AQ7-voxthresh-3.pdb
29. BindingDB_50138281.docklog.results_tab.log
30. BindingDB_50180129.docklog.mol2
31. 2AQ7-voxthresh-6.pdb
32. 2AQ7-marked-vox.pdb
33. 2AQ7.mol2
34. 2AQ7-voxthresh-1.pdb
35. BindingDB_50180135.docklog.results_tab.log
36. 2AQ7-results_BindingDB_50180135.mol2
37. 2AQ7_congener.mol2
38. log-results_tab.log
39. BindingDB_50180110.docklog.results_tab.log
40. BindingDB_50180123.mol2
41. BindingDB_50180103.docklog
42. 2AQ7-results_BindingDB_50180116.mol2
43. BindingDB_50180122.mol2
44. protein_sampling.mol2
45. BindingDB_50180123.frags.mol2
46. BindingDB_50180110.frags.mol2
47. 2AQ7_congener-log.txt
48. 2AQ7-voxthresh-4.pdb
49. BindingDB_50180123.docklog
50. 2AQ7-voxthresh-7.pdb
51. BindingDB_50180135.mol2
52. BindingDB_50180104.frags.mol2
53. log
54. 2AQ7.opt-protein-trim.mol2
55. BindingDB_50180103.frags.mol2
56. ligand_sampling.mol2
57. BindingDB_50180130.mol2
58. 2AQ7-results_BindingDB_50180121.mol2
59. BindingDB_50180130.frags.mol2
60. BindingDB_50180130.docklog.results_tab.log
61. BindingDB_50180116.mol2
62. BindingDB_50180122.docklog.mol2
63. 2AQ7-marked-protein.pdb
64. BindingDB_50138281.frags.mol2
65. 2AQ7.pdb
66. BindingDB_50180103.mol2
67. BindingDB_50180129.mol2
68. BindingDB_50180104.docklog.results_tab.log
69. 2AQ7_water.mol2
70. 2AQ7-protomol.mol2
71. BindingDB_50180129.frags.mol2
72. 2AQ7-voxthresh-5.pdb
73. BindingDB_50180121.docklog
74. BindingDB_50180121.mol2
75. BindingDB_50180122.docklog.results_tab.log
76. scale
77. frag2.mol2
78. BindingDB_50180129.docklog.results_tab.log
79. BindingDB_50180135.frags.mol2
80. prot.mol2
81. BindingDB_50180135.docklog
82. BindingDB_50180104.mol2
83. bdb_2AQ7_TL5_sim.txt
84. 2AQ7-voxthresh-2.pdb
85. 2AQ7.Targets
86. 2AQ7-results_BindingDB_50180104.mol2
87. 2AQ7-results_BindingDB_50180110.mol2
88. 2AQ7-voxthresh-9.pdb
89. BindingDB_50180121.docklog.mol2
90. 2AQ7-results_BindingDB_50180129.mol2
91. BindingDB_50180135.docklog.mol2
92. BindingDB_50180110.mol2
93. 2AQ7-voxthresh-8.pdb
94. 2AQ7-results_BindingDB_50180122.mol2
95. BindingDB_50180127.docklog.results_tab.log
96. BindingDB_50180127.docklog
97. 2AQ7_sdf.mol2
98. BindingDB_50180127.mol2
99. BindingDB_50180104.docklog.mol2
100. 2AQ7-results_BindingDB_50180123.mol2
101. BindingDB_50180121.frags.mol2
102. 2AQ7.csv
103. bdb_2AQ7_TL5_3D.sdf
104. BindingDB_50180116.docklog.mol2
105. BindingDB_50180130.docklog.mol2
106. BindingDB_50180121.docklog.results_tab.log
107. TL5.sdf
108. BindingDB_50180104.docklog
109. BindingDB_50180129.docklog
110. 2AQ7_sdf-log.txt
111. frag1.mol2
112. 2AQ7-results_BindingDB_50180127.mol2
113. BindingDB_50180116.docklog