Full input and output files for computationally docked structures of congeneric ligands similar to BDBM13599=213 in crystal structure 1Q6P

1. BindingDB_50142331.docklog.results_tab.log
2. 1Q6P-protomol.mol2
3. prot-log.txt
4. BindingDB_50142328.docklog
5. BindingDB_13595.docklog.results_tab.log
6. BindingDB_50142331.docklog.mol2
7. BindingDB_13602.docklog
8. 1Q6P-voxthresh-7.pdb
9. BindingDB_50142331.docklog
10. BindingDB_50142332.docklog.mol2
11. BindingDB_13600.frags.mol2
12. BindingDB_50142332.mol2
13. BindingDB_13596.frags.mol2
14. BindingDB_50142333.docklog
15. BindingDB_13598.docklog
16. 1Q6P.Targets
17. BindingDB_13601.frags.mol2
18. 1Q6P-voxthresh-8.pdb
19. BindingDB_13600.docklog.mol2
20. BindingDB_50142334.mol2
21. 1Q6P-voxthresh-10.pdb
22. BindingDB_50142331.mol2
23. BindingDB_13595.docklog.mol2
24. BindingDB_13602.mol2
25. BindingDB_13595.frags.mol2
26. BindingDB_13599.docklog.mol2
27. BindingDB_50142328.docklog.mol2
28. BindingDB_13596.docklog.results_tab.log
29. 1Q6P.csv
30. BindingDB_13593.docklog.mol2
31. 1Q6P.mol2
32. BindingDB_13601.docklog
33. 1Q6P-results_BindingDB_13595.mol2
34. BindingDB_13601.docklog.results_tab.log
35. BindingDB_50142334.docklog
36. BindingDB_50142333.docklog.mol2
37. log-results.mol2
38. 1Q6P-results_BindingDB_13598.mol2
39. 1Q6P_water.mol2
40. BindingDB_13595.docklog
41. 1Q6P-results_tab.log
42. BindingDB_50142328.frags.mol2
43. 1Q6P-voxthresh-6.pdb
44. 1Q6P-marked-protein.pdb
45. 213.sdf
46. BindingDB_13598.docklog.mol2
47. 1Q6P_congener-log.txt
48. BindingDB_13598.docklog.results_tab.log
49. BindingDB_13593.frags.mol2
50. BindingDB_13593.mol2
51. 1Q6P-results_BindingDB_13600.mol2
52. 1Q6P-results_BindingDB_13593.mol2
53. BindingDB_50142328.docklog.results_tab.log
54. BindingDB_50142332.frags.mol2
55. bdb_1Q6P_213_3D.sdf
56. log-results_tab.log
57. BindingDB_13593.docklog.results_tab.log
58. 1Q6P-results_BindingDB_13602.mol2
59. BindingDB_50142331.frags.mol2
60. protein_sampling.mol2
61. 1Q6P-results_BindingDB_13596.mol2
62. BindingDB_50142334.frags.mol2
63. 1Q6P-voxthresh-3.pdb
64. BindingDB_13596.docklog.mol2
65. 1Q6P-voxthresh-0.pdb
66. BindingDB_13599.mol2
67. BindingDB_13593.docklog
68. 1Q6P_sdf-log.txt
69. BindingDB_13598.frags.mol2
70. log
71. BindingDB_50142333.mol2
72. 1Q6P-results_BindingDB_50142326.mol2
73. 1Q6P-results.mol2
74. 1Q6P_ligand0.mol2
75. BindingDB_50142332.docklog.results_tab.log
76. 1Q6P.opt-protein-trim.mol2
77. 1Q6P.pdb
78. BindingDB_13596.mol2
79. 1Q6P-voxthresh-9.pdb
80. 1Q6P_sdf.mol2
81. 1Q6P-voxthresh-4.pdb
82. BindingDB_13599.docklog
83. BindingDB_50142332.docklog
84. BindingDB_50142328.mol2
85. scale
86. frag2.mol2
87. BindingDB_50142326.frags.mol2
88. BindingDB_50142326.docklog.results_tab.log
89. BindingDB_50142326.mol2
90. prot.mol2
91. BindingDB_13599.frags.mol2
92. BindingDB_50142334.docklog.mol2
93. bdb_1Q6P_213_sim.txt
94. BindingDB_13595.mol2
95. BindingDB_13601.mol2
96. BindingDB_13602.docklog.mol2
97. UnDockable.list
98. 1Q6P_congener.mol2
99. 1Q6P-voxthresh-5.pdb
100. BindingDB_13600.docklog
101. 1Q6P-results_BindingDB_13601.mol2
102. BindingDB_13596.docklog
103. BindingDB_13602.docklog.results_tab.log
104. BindingDB_50142333.docklog.results_tab.log
105. 1Q6P-marked-vox.pdb
106. BindingDB_13600.mol2
107. BindingDB_50142326.docklog
108. 1Q6P-voxthresh-2.pdb
109. BindingDB_50142334.docklog.results_tab.log
110. BindingDB_50142333.frags.mol2
111. BindingDB_13600.docklog.results_tab.log
112. frag1.mol2
113. BindingDB_13601.docklog.mol2
114. 1Q6P-results_BindingDB_13599.mol2
115. 1Q6P-voxthresh-1.pdb
116. BindingDB_13599.docklog.results_tab.log
117. BindingDB_13598.mol2
118. BindingDB_50142326.docklog.mol2
119. BindingDB_13602.frags.mol2