Full input and output files for computationally docked structures of congeneric ligands similar to BDBM26999=OSP in crystal structure 2Q1Q

1. BindingDB_50080700.docklog.mol2
2. 2Q1Q-results.mol2
3. BindingDB_50345221.docklog.results_tab.log
4. 2Q1Q-voxthresh-5.pdb
5. prot-log.txt
6. 2Q1Q-voxthresh-6.pdb
7. BindingDB_50174035.docklog.results_tab.log
8. 2Q1Q_congener.mol2
9. BindingDB_50094377.mol2
10. BindingDB_50080699.docklog.results_tab.log
11. BindingDB_50080643.docklog.mol2
12. BindingDB_50345221.frags.mol2
13. BindingDB_50337747.docklog.mol2
14. bdb_2Q1Q_OSP_sim.txt
15. BindingDB_50337747.docklog.results_tab.log
16. BindingDB_26999.docklog.results_tab.log
17. BindingDB_50174035.docklog
18. BindingDB_16646.mol2
19. BindingDB_10899.docklog.mol2
20. BindingDB_50337746.docklog.mol2
21. BindingDB_50080643.frags.mol2
22. 2Q1Q-voxthresh-9.pdb
23. 2Q1Q-results_BindingDB_50337746.mol2
24. BindingDB_10899.frags.mol2
25. BindingDB_16658.docklog.results_tab.log
26. BindingDB_50174035.frags.mol2
27. BindingDB_50080733.mol2
28. BindingDB_16646.docklog
29. 2Q1Q-voxthresh-7.pdb
30. 2Q1Q.pdb
31. 2Q1Q-marked-protein.pdb
32. log-results.mol2
33. BindingDB_50337747.docklog
34. 2Q1Q_sdf-log.txt
35. 2Q1Q-voxthresh-4.pdb
36. BindingDB_50080699.docklog
37. BindingDB_50080700.docklog
38. BindingDB_16658.docklog.mol2
39. 2Q1Q-voxthresh-3.pdb
40. BindingDB_50094361.docklog.mol2
41. 2Q1Q-results_BindingDB_50080699.mol2
42. BindingDB_10899.docklog
43. 2Q1Q.opt-protein-trim.mol2
44. 2Q1Q-results_BindingDB_50080700.mol2
45. log-results_tab.log
46. 2Q1Q.csv
47. BindingDB_16658.frags.mol2
48. BindingDB_26999.docklog.mol2
49. BindingDB_50080733.docklog.results_tab.log
50. 2Q1Q-voxthresh-2.pdb
51. protein_sampling.mol2
52. BindingDB_50094377.docklog.results_tab.log
53. BindingDB_16658.mol2
54. BindingDB_16646.docklog.results_tab.log
55. 2Q1Q-results_BindingDB_10899.mol2
56. BindingDB_50174035.mol2
57. 2Q1Q-results_BindingDB_26999.mol2
58. BindingDB_50080700.frags.mol2
59. 2Q1Q-results_BindingDB_50080643.mol2
60. BindingDB_50337747.frags.mol2
61. BindingDB_50337746.mol2
62. BindingDB_50080692.docklog.mol2
63. 2Q1Q.Targets
64. BindingDB_50080699.docklog.mol2
65. log
66. ligand_sampling.mol2
67. 2Q1Q-voxthresh-10.pdb
68. bdb_2Q1Q_OSP_3D.sdf
69. 2Q1Q-voxthresh-1.pdb
70. BindingDB_50094377.docklog
71. 2Q1Q-voxthresh-8.pdb
72. BindingDB_26999.mol2
73. BindingDB_50080692.frags.mol2
74. scale
75. BindingDB_50080700.mol2
76. frag2.mol2
77. BindingDB_50337746.frags.mol2
78. 2Q1Q-results_tab.log
79. 2Q1Q-voxthresh-0.pdb
80. BindingDB_50080699.mol2
81. BindingDB_10899.mol2
82. prot.mol2
83. BindingDB_50080643.mol2
84. BindingDB_16646.docklog.mol2
85. BindingDB_50080692.mol2
86. BindingDB_50080692.docklog.results_tab.log
87. BindingDB_50094377.frags.mol2
88. BindingDB_50337746.docklog
89. 2Q1Q-marked-vox.pdb
90. 2Q1Q-protomol.mol2
91. OSP.sdf
92. BindingDB_50080643.docklog.results_tab.log
93. 2Q1Q_congener-log.txt
94. BindingDB_50094361.docklog.results_tab.log
95. BindingDB_26999.frags.mol2
96. BindingDB_50345221.mol2
97. BindingDB_26999.docklog
98. BindingDB_50080643.docklog
99. BindingDB_50337747.mol2
100. BindingDB_50080699.frags.mol2
101. BindingDB_50345221.docklog.mol2
102. BindingDB_50094377.docklog.mol2
103. BindingDB_16646.frags.mol2
104. BindingDB_50174035.docklog.mol2
105. 2Q1Q_sdf.mol2
106. BindingDB_16658.docklog
107. BindingDB_50337746.docklog.results_tab.log
108. 2Q1Q-results_BindingDB_16658.mol2
109. BindingDB_50094361.mol2
110. BindingDB_50080733.docklog.mol2
111. BindingDB_50080692.docklog
112. 2Q1Q_ligand0.mol2
113. BindingDB_50080733.docklog
114. BindingDB_50094361.frags.mol2
115. frag1.mol2
116. BindingDB_10899.docklog.results_tab.log
117. BindingDB_50094361.docklog
118. BindingDB_50345221.docklog
119. BindingDB_50080700.docklog.results_tab.log
120. 2Q1Q.mol2
121. 2Q1Q_water.mol2
122. BindingDB_50080733.frags.mol2