Full input and output files for computationally docked structures of congeneric ligands similar to BDBM50209559=006 in crystal structure 3QS1

1. 3QS1-voxthresh-7.pdb
2. BindingDB_8112.mol2
3. BindingDB_50209559.docklog
4. 3QS1_ligand1.mol2
5. BindingDB_8091.docklog.mol2
6. BindingDB_8091.docklog
7. BindingDB_8098.docklog
8. bdb_3QS1_006_3D.sdf
9. BindingDB_8089.docklog.results_tab.log
10. prot-log.txt
11. BindingDB_50209559.frags.mol2
12. BindingDB_8089.mol2
13. 3QS1-voxthresh-6.pdb
14. 3QS1-results_BindingDB_50173739.mol2
15. BindingDB_8091.frags.mol2
16. BindingDB_8085.mol2
17. BindingDB_8085.docklog
18. BindingDB_8030.docklog.results_tab.log
19. 3QS1-voxthresh-4.pdb
20. 3QS1_ligand10.mol2
21. 3QS1_ligand8.mol2
22. 3QS1_ligand9.mol2
23. 3QS1-results_tab.log
24. 3QS1_ligand13.mol2
25. 3QS1-voxthresh-3.pdb
26. BindingDB_8001.frags.mol2
27. BindingDB_8100.docklog
28. 3QS1_congener-log.txt
29. BindingDB_50209559.docklog.results_tab.log
30. BindingDB_8001.docklog.results_tab.log
31. 3QS1-voxthresh-1.pdb
32. BindingDB_8029.frags.mol2
33. BindingDB_50173742.docklog
34. 3QS1_ligand3.mol2
35. BindingDB_50173742.docklog.mol2
36. BindingDB_8085.docklog.results_tab.log
37. BindingDB_8115.mol2
38. BindingDB_8098.mol2
39. BindingDB_8001.docklog
40. 3QS1-results_BindingDB_8112.mol2
41. BindingDB_8091.docklog.results_tab.log
42. 3QS1-results_BindingDB_8091.mol2
43. 3QS1-voxthresh-8.pdb
44. BindingDB_8098.frags.mol2
45. BindingDB_8029.docklog.mol2
46. 3QS1.mol2
47. log-results.mol2
48. BindingDB_8112.docklog.results_tab.log
49. BindingDB_8112.docklog.mol2
50. 3QS1-voxthresh-2.pdb
51. BindingDB_8029.docklog
52. BindingDB_8089.frags.mol2
53. BindingDB_8091.mol2
54. BindingDB_50209559.mol2
55. BindingDB_8001.docklog.mol2
56. BindingDB_8085.docklog.mol2
57. 3QS1_ligand11.mol2
58. 3QS1.opt-protein-trim.mol2
59. 3QS1_ligand6.mol2
60. BindingDB_8112.docklog
61. BindingDB_8001.mol2
62. BindingDB_8089.docklog
63. log-results_tab.log
64. 3QS1-results_BindingDB_8098.mol2
65. 3QS1-results_BindingDB_8089.mol2
66. 3QS1-marked-protein.pdb
67. 006.sdf
68. BindingDB_50173739.docklog.mol2
69. BindingDB_8115.docklog
70. BindingDB_8089.docklog.mol2
71. 3QS1-results_BindingDB_50173742.mol2
72. 3QS1_ligand4.mol2
73. BindingDB_50173739.docklog.results_tab.log
74. protein_sampling.mol2
75. 3QS1_sdf.mol2
76. 3QS1-voxthresh-9.pdb
77. 3QS1.csv
78. BindingDB_8100.mol2
79. log
80. BindingDB_8115.frags.mol2
81. ligand_sampling.mol2
82. BindingDB_8030.docklog
83. 3QS1-voxthresh-0.pdb
84. BindingDB_8098.docklog.results_tab.log
85. 3QS1_congener.mol2
86. BindingDB_50173742.mol2
87. 3QS1_ligand7.mol2
88. BindingDB_8030.mol2
89. BindingDB_8029.docklog.results_tab.log
90. 3QS1.pdb
91. 3QS1_ligand0.mol2
92. BindingDB_8100.docklog.mol2
93. 3QS1_ligand2.mol2
94. 3QS1-voxthresh-5.pdb
95. 3QS1_sdf-log.txt
96. BindingDB_50173739.docklog
97. BindingDB_8112.frags.mol2
98. scale
99. 3QS1-results_BindingDB_8001.mol2
100. 3QS1-results_BindingDB_8085.mol2
101. frag2.mol2
102. 3QS1-marked-vox.pdb
103. prot.mol2
104. BindingDB_8030.frags.mol2
105. BindingDB_50173739.mol2
106. 3QS1-results.mol2
107. BindingDB_8100.docklog.results_tab.log
108. UnDockable.list
109. 3QS1-results_BindingDB_8030.mol2
110. 3QS1.Targets
111. BindingDB_50209559.docklog.mol2
112. 3QS1_ligand12.mol2
113. BindingDB_50173742.frags.mol2
114. 3QS1-results_BindingDB_50209559.mol2
115. BindingDB_50173742.docklog.results_tab.log
116. BindingDB_50173739.frags.mol2
117. 3QS1_ligand5.mol2
118. BindingDB_8085.frags.mol2
119. BindingDB_8098.docklog.mol2
120. BindingDB_8030.docklog.mol2
121. BindingDB_8115.docklog.mol2
122. 3QS1-protomol.mol2
123. BindingDB_8029.mol2
124. frag1.mol2
125. bdb_3QS1_006_sim.txt
126. BindingDB_8100.frags.mol2
127. BindingDB_8115.docklog.results_tab.log