Full input and output files for computationally docked structures of congeneric ligands similar to BDBM13596=P27 in crystal structure 1Q6M

1. BindingDB_50142331.docklog.results_tab.log
2. 1Q6M-voxthresh-6.pdb
3. prot-log.txt
4. 1Q6M_congener.mol2
5. BindingDB_50142328.docklog
6. 1Q6M-voxthresh-5.pdb
7. BindingDB_13595.docklog.results_tab.log
8. 1Q6M-results_BindingDB_50142323.mol2
9. BindingDB_50142331.docklog.mol2
10. 1Q6M.mol2
11. 1Q6M-results_BindingDB_13596.mol2
12. 1Q6M-results_BindingDB_13598.mol2
13. BindingDB_50142335.frags.mol2
14. BindingDB_50142331.docklog
15. BindingDB_50142332.docklog.mol2
16. BindingDB_13600.frags.mol2
17. BindingDB_50142332.mol2
18. BindingDB_13596.frags.mol2
19. BindingDB_50142333.docklog
20. BindingDB_13598.docklog
21. P27.sdf
22. BindingDB_13600.docklog.mol2
23. bdb_1Q6M_P27_sim.txt
24. BindingDB_50142334.mol2
25. BindingDB_50142331.mol2
26. BindingDB_13595.docklog.mol2
27. BindingDB_13595.frags.mol2
28. BindingDB_50142322.docklog
29. BindingDB_13599.docklog.mol2
30. BindingDB_50142328.docklog.mol2
31. BindingDB_13596.docklog.results_tab.log
32. BindingDB_13593.docklog.mol2
33. BindingDB_50142323.docklog
34. BindingDB_50142334.docklog
35. BindingDB_50142333.docklog.mol2
36. log-results.mol2
37. 1Q6M_sdf-log.txt
38. BindingDB_50142335.mol2
39. BindingDB_13815.docklog
40. BindingDB_13595.docklog
41. BindingDB_50142328.frags.mol2
42. 1Q6M_sdf.mol2
43. BindingDB_13815.frags.mol2
44. bdb_1Q6M_P27_3D.sdf
45. BindingDB_13598.docklog.mol2
46. BindingDB_13598.docklog.results_tab.log
47. BindingDB_13815.docklog.results_tab.log
48. BindingDB_13593.frags.mol2
49. BindingDB_50142335.docklog
50. BindingDB_50142322.docklog.results_tab.log
51. BindingDB_13593.mol2
52. BindingDB_50142328.docklog.results_tab.log
53. BindingDB_50142332.frags.mol2
54. 1Q6M.opt-protein-trim.mol2
55. log-results_tab.log
56. BindingDB_13593.docklog.results_tab.log
57. 1Q6M-marked-protein.pdb
58. BindingDB_50142331.frags.mol2
59. protein_sampling.mol2
60. BindingDB_50142334.frags.mol2
61. BindingDB_50142322.docklog.mol2
62. 1Q6M-results.mol2
63. 1Q6M.csv
64. BindingDB_13596.docklog.mol2
65. 1Q6M-results_BindingDB_13595.mol2
66. BindingDB_50142323.docklog.mol2
67. BindingDB_13599.mol2
68. BindingDB_13593.docklog
69. BindingDB_13598.frags.mol2
70. log
71. BindingDB_50142323.docklog.results_tab.log
72. BindingDB_50142333.mol2
73. 1Q6M-voxthresh-3.pdb
74. BindingDB_50142322.mol2
75. 1Q6M_ligand0.mol2
76. 1Q6M-voxthresh-8.pdb
77. BindingDB_50142332.docklog.results_tab.log
78. BindingDB_13596.mol2
79. 1Q6M-voxthresh-0.pdb
80. 1Q6M-voxthresh-9.pdb
81. 1Q6M-results_BindingDB_13599.mol2
82. BindingDB_13599.docklog
83. BindingDB_50142332.docklog
84. 1Q6M-results_tab.log
85. BindingDB_50142323.frags.mol2
86. BindingDB_50142328.mol2
87. scale
88. frag2.mol2
89. BindingDB_50142326.frags.mol2
90. BindingDB_50142326.docklog.results_tab.log
91. BindingDB_50142326.mol2
92. prot.mol2
93. BindingDB_13599.frags.mol2
94. 1Q6M-voxthresh-4.pdb
95. 1Q6M-results_BindingDB_13593.mol2
96. BindingDB_50142335.docklog.mol2
97. BindingDB_50142334.docklog.mol2
98. BindingDB_13595.mol2
99. 1Q6M-voxthresh-1.pdb
100. 1Q6M-protomol.mol2
101. UnDockable.list
102. BindingDB_13815.mol2
103. 1Q6M-results_BindingDB_50142326.mol2
104. BindingDB_50142335.docklog.results_tab.log
105. BindingDB_13600.docklog
106. BindingDB_13596.docklog
107. BindingDB_13815.docklog.mol2
108. BindingDB_50142333.docklog.results_tab.log
109. 1Q6M_congener-log.txt
110. 1Q6M-marked-vox.pdb
111. 1Q6M_water.mol2
112. BindingDB_13600.mol2
113. 1Q6M-results_BindingDB_13815.mol2
114. BindingDB_50142323.mol2
115. BindingDB_50142326.docklog
116. BindingDB_50142334.docklog.results_tab.log
117. 1Q6M.pdb
118. 1Q6M.Targets
119. BindingDB_50142333.frags.mol2
120. BindingDB_13600.docklog.results_tab.log
121. frag1.mol2
122. 1Q6M-voxthresh-2.pdb
123. BindingDB_13599.docklog.results_tab.log
124. BindingDB_13598.mol2
125. 1Q6M-voxthresh-7.pdb
126. BindingDB_50142326.docklog.mol2
127. BindingDB_50142322.frags.mol2