Full input and output files for computationally docked structures of congeneric ligands similar to BDBM13604=600 in crystal structure 1Q6T

1. 1Q6T-voxthresh-3.pdb
2. 1Q6T-marked-protein.pdb
3. prot-log.txt
4. 1Q6T-results_BindingDB_13605.mol2
5. BindingDB_50142328.docklog
6. BindingDB_13605.docklog
7. BindingDB_13604.docklog.results_tab.log
8. BindingDB_13814.docklog
9. BindingDB_13595.docklog.results_tab.log
10. BindingDB_50142327.mol2
11. BindingDB_13603.frags.mol2
12. BindingDB_13602.docklog
13. 1Q6T-results_BindingDB_13599.mol2
14. BindingDB_50308854.mol2
15. 1Q6T-voxthresh-5.pdb
16. BindingDB_50142325.mol2
17. 1Q6T-results_BindingDB_50142325.mol2
18. BindingDB_13600.frags.mol2
19. BindingDB_13814.mol2
20. BindingDB_13598.docklog
21. 1Q6T-results.mol2
22. BindingDB_13601.frags.mol2
23. 1Q6T-voxthresh-4.pdb
24. 600.sdf
25. BindingDB_13600.docklog.mol2
26. BindingDB_50142325.docklog
27. BindingDB_50142334.mol2
28. BindingDB_13603.docklog
29. 1Q6T-marked-vox.pdb
30. 1Q6T-results_BindingDB_13595.mol2
31. BindingDB_13595.docklog.mol2
32. BindingDB_50142327.docklog.results_tab.log
33. BindingDB_13602.mol2
34. 1Q6T-results_BindingDB_50142328.mol2
35. BindingDB_13595.frags.mol2
36. BindingDB_50142322.docklog
37. BindingDB_13599.docklog.mol2
38. BindingDB_50142328.docklog.mol2
39. 1Q6T-results_BindingDB_13602.mol2
40. 1Q6T-voxthresh-8.pdb
41. BindingDB_13601.docklog
42. BindingDB_13604.docklog.mol2
43. 1Q6T-voxthresh-9.pdb
44. BindingDB_13601.docklog.results_tab.log
45. BindingDB_50142334.docklog
46. log-results.mol2
47. BindingDB_13595.docklog
48. 1Q6T.opt-protein-trim.mol2
49. BindingDB_50142328.frags.mol2
50. BindingDB_13604.docklog
51. 1Q6T_sdf.mol2
52. 1Q6T_congener-log.txt
53. BindingDB_13605.mol2
54. BindingDB_13598.docklog.mol2
55. BindingDB_13598.docklog.results_tab.log
56. BindingDB_50142322.docklog.results_tab.log
57. BindingDB_50142328.docklog.results_tab.log
58. log-results_tab.log
59. BindingDB_50142327.frags.mol2
60. 1Q6T-results_BindingDB_13600.mol2
61. 1Q6T.pdb
62. 1Q6T-voxthresh-10.pdb
63. BindingDB_13605.frags.mol2
64. protein_sampling.mol2
65. BindingDB_50142334.frags.mol2
66. BindingDB_50142322.docklog.mol2
67. 1Q6T_ligand0.mol2
68. BindingDB_13605.docklog.results_tab.log
69. BindingDB_13603.docklog.results_tab.log
70. 1Q6T-results_BindingDB_13603.mol2
71. BindingDB_50308854.docklog.mol2
72. BindingDB_13814.docklog.results_tab.log
73. BindingDB_13814.docklog.mol2
74. BindingDB_13599.mol2
75. 1Q6T-voxthresh-1.pdb
76. BindingDB_13598.frags.mol2
77. log
78. 1Q6T-results_BindingDB_13601.mol2
79. 1Q6T-voxthresh-7.pdb
80. BindingDB_50142322.mol2
81. BindingDB_50142325.frags.mol2
82. 1Q6T.csv
83. BindingDB_13604.mol2
84. BindingDB_13604.frags.mol2
85. 1Q6T-results_BindingDB_50142322.mol2
86. BindingDB_50142325.docklog.results_tab.log
87. BindingDB_50308854.docklog.results_tab.log
88. 1Q6T-results_BindingDB_13598.mol2
89. BindingDB_13599.docklog
90. BindingDB_50142328.mol2
91. scale
92. frag2.mol2
93. BindingDB_50142326.frags.mol2
94. BindingDB_50142326.docklog.results_tab.log
95. BindingDB_13603.mol2
96. BindingDB_50142326.mol2
97. 1Q6T_water.mol2
98. 1Q6T-results_BindingDB_50142326.mol2
99. prot.mol2
100. BindingDB_13599.frags.mol2
101. BindingDB_50142334.docklog.mol2
102. BindingDB_13605.docklog.mol2
103. 1Q6T.mol2
104. BindingDB_13603.docklog.mol2
105. 1Q6T.Targets
106. BindingDB_13595.mol2
107. BindingDB_13601.mol2
108. BindingDB_13602.docklog.mol2
109. UnDockable.list
110. BindingDB_13600.docklog
111. BindingDB_50142325.docklog.mol2
112. BindingDB_50308854.docklog
113. bdb_1Q6T_600_sim.txt
114. 1Q6T_sdf-log.txt
115. BindingDB_13602.docklog.results_tab.log
116. BindingDB_13814.frags.mol2
117. 1Q6T-results_tab.log
118. 1Q6T-voxthresh-6.pdb
119. BindingDB_13600.mol2
120. 1Q6T_congener.mol2
121. 1Q6T-results_BindingDB_13604.mol2
122. BindingDB_50142326.docklog
123. BindingDB_50142327.docklog.mol2
124. BindingDB_50142334.docklog.results_tab.log
125. 1Q6T-voxthresh-0.pdb
126. 1Q6T-protomol.mol2
127. BindingDB_50142327.docklog
128. BindingDB_13600.docklog.results_tab.log
129. frag1.mol2
130. BindingDB_13601.docklog.mol2
131. BindingDB_50308854.frags.mol2
132. BindingDB_13599.docklog.results_tab.log
133. BindingDB_13598.mol2
134. BindingDB_50142326.docklog.mol2
135. BindingDB_50142322.frags.mol2
136. 1Q6T-voxthresh-2.pdb
137. bdb_1Q6T_600_3D.sdf
138. BindingDB_13602.frags.mol2