Full input and output files for computationally docked structures of congeneric ligands similar to BDBM13595=335 in crystal structure 1Q6J

1. BindingDB_50142331.docklog.results_tab.log
2. 1Q6J.opt-protein-trim.mol2
3. prot-log.txt
4. BindingDB_50142328.docklog
5. BindingDB_13595.docklog.results_tab.log
6. BindingDB_50142331.docklog.mol2
7. 1Q6J.mol2
8. 1Q6J.pdb
9. BindingDB_50142335.frags.mol2
10. BindingDB_50142331.docklog
11. BindingDB_50142332.docklog.mol2
12. BindingDB_50142332.mol2
13. BindingDB_13596.frags.mol2
14. BindingDB_50142333.docklog
15. 1Q6J-results_BindingDB_13815.mol2
16. 1Q6J-voxthresh-6.pdb
17. BindingDB_13598.docklog
18. 1Q6J_congener.mol2
19. 1Q6J-voxthresh-9.pdb
20. BindingDB_50142334.mol2
21. BindingDB_50142331.mol2
22. 1Q6J-results_BindingDB_13599.mol2
23. 1Q6J-voxthresh-8.pdb
24. BindingDB_13595.docklog.mol2
25. BindingDB_13595.frags.mol2
26. BindingDB_13599.docklog.mol2
27. 1Q6J-results_BindingDB_50142323.mol2
28. 1Q6J_sdf-log.txt
29. BindingDB_50142328.docklog.mol2
30. BindingDB_13596.docklog.results_tab.log
31. BindingDB_13593.docklog.mol2
32. BindingDB_50142323.docklog
33. BindingDB_50142334.docklog
34. 1Q6J-results_BindingDB_50142334.mol2
35. BindingDB_50142333.docklog.mol2
36. log-results.mol2
37. 1Q6J_sdf.mol2
38. BindingDB_50142335.mol2
39. BindingDB_13815.docklog
40. 1Q6J-results_BindingDB_13593.mol2
41. BindingDB_13595.docklog
42. 1Q6J-protomol.mol2
43. BindingDB_50142328.frags.mol2
44. 1Q6J.csv
45. BindingDB_13815.frags.mol2
46. BindingDB_13598.docklog.mol2
47. BindingDB_13598.docklog.results_tab.log
48. 1Q6J-voxthresh-5.pdb
49. BindingDB_13815.docklog.results_tab.log
50. BindingDB_13593.frags.mol2
51. BindingDB_50142335.docklog
52. 1Q6J-marked-protein.pdb
53. 1Q6J-marked-vox.pdb
54. BindingDB_13593.mol2
55. BindingDB_50142328.docklog.results_tab.log
56. BindingDB_50142332.frags.mol2
57. log-results_tab.log
58. BindingDB_13593.docklog.results_tab.log
59. BindingDB_50142331.frags.mol2
60. 1Q6J-results_tab.log
61. 1Q6J.Targets
62. 1Q6J-results_BindingDB_50142331.mol2
63. protein_sampling.mol2
64. 1Q6J-results_BindingDB_50142328.mol2
65. 1Q6J_ligand0.mol2
66. BindingDB_50142334.frags.mol2
67. 335.sdf
68. BindingDB_13596.docklog.mol2
69. BindingDB_50142323.docklog.mol2
70. BindingDB_13599.mol2
71. BindingDB_13593.docklog
72. 1Q6J-results.mol2
73. BindingDB_13598.frags.mol2
74. 1Q6J-voxthresh-7.pdb
75. log
76. BindingDB_50142323.docklog.results_tab.log
77. BindingDB_50142333.mol2
78. 1Q6J-results_BindingDB_13595.mol2
79. 1Q6J-voxthresh-1.pdb
80. 1Q6J-voxthresh-3.pdb
81. BindingDB_50142332.docklog.results_tab.log
82. 1Q6J-voxthresh-2.pdb
83. BindingDB_13596.mol2
84. BindingDB_13599.docklog
85. BindingDB_50142332.docklog
86. BindingDB_50142323.frags.mol2
87. BindingDB_50142328.mol2
88. scale
89. frag2.mol2
90. BindingDB_50142326.frags.mol2
91. BindingDB_50142326.docklog.results_tab.log
92. BindingDB_50142326.mol2
93. prot.mol2
94. BindingDB_13599.frags.mol2
95. BindingDB_50142335.docklog.mol2
96. BindingDB_50142334.docklog.mol2
97. BindingDB_13595.mol2
98. 1Q6J-voxthresh-0.pdb
99. 1Q6J-voxthresh-10.pdb
100. UnDockable.list
101. BindingDB_13815.mol2
102. BindingDB_50142335.docklog.results_tab.log
103. 1Q6J_congener-log.txt
104. BindingDB_13596.docklog
105. BindingDB_13815.docklog.mol2
106. BindingDB_50142333.docklog.results_tab.log
107. bdb_1Q6J_335_sim.txt
108. bdb_1Q6J_335_3D.sdf
109. BindingDB_50142323.mol2
110. BindingDB_50142326.docklog
111. 1Q6J-voxthresh-4.pdb
112. BindingDB_50142334.docklog.results_tab.log
113. BindingDB_50142333.frags.mol2
114. frag1.mol2
115. BindingDB_13599.docklog.results_tab.log
116. BindingDB_13598.mol2
117. 1Q6J_water.mol2
118. BindingDB_50142326.docklog.mol2
119. 1Q6J-results_BindingDB_13596.mol2