Full input and output files for computationally docked structures of congeneric ligands similar to BDBM50219573=4B3 in crystal structure 2QBQ

1. BindingDB_50219570.docklog.results_tab.log
2. 2QBQ-results_BindingDB_50219598.mol2
3. BindingDB_50219601.docklog
4. prot-log.txt
5. 2QBQ-results_BindingDB_50219570.mol2
6. BindingDB_50219597.docklog.results_tab.log
7. BindingDB_50219603.docklog
8. BindingDB_50219564.docklog.results_tab.log
9. BindingDB_50219590.docklog.mol2
10. BindingDB_50219579.frags.mol2
11. BindingDB_50219590.docklog
12. BindingDB_50219570.docklog.mol2
13. BindingDB_50219596.docklog.results_tab.log
14. BindingDB_50219570.docklog
15. BindingDB_50219574.docklog.results_tab.log
16. 2QBQ_sdf.mol2
17. BindingDB_50219601.mol2
18. BindingDB_50219579.docklog.mol2
19. BindingDB_50219587.docklog
20. 2QBQ-voxthresh-2.pdb
21. BindingDB_50219591.docklog.results_tab.log
22. 2QBQ.Targets
23. 2QBQ.opt-protein-trim.mol2
24. BindingDB_50219573.docklog.mol2
25. BindingDB_50219603.docklog.mol2
26. 2QBQ-marked-vox.pdb
27. BindingDB_50219601.docklog.results_tab.log
28. 2QBQ-results_BindingDB_50219574.mol2
29. BindingDB_50219574.docklog
30. 2QBQ-voxthresh-8.pdb
31. BindingDB_50219605.docklog.mol2
32. 2QBQ-results_BindingDB_50219587.mol2
33. BindingDB_50219591.docklog
34. BindingDB_50219594.mol2
35. BindingDB_50219597.docklog
36. BindingDB_50219564.mol2
37. BindingDB_50219598.frags.mol2
38. 2QBQ-results_BindingDB_50219579.mol2
39. BindingDB_50219605.docklog.results_tab.log
40. 2QBQ-voxthresh-7.pdb
41. BindingDB_50219579.docklog
42. BindingDB_50219578.docklog.results_tab.log
43. log-results.mol2
44. 2QBQ-results_BindingDB_50219594.mol2
45. BindingDB_50219587.docklog.mol2
46. BindingDB_50219598.docklog.results_tab.log
47. 2QBQ.csv
48. BindingDB_50219578.docklog
49. bdb_2QBQ_4B3_3D.sdf
50. 2QBQ-marked-protein.pdb
51. 2QBQ_water.mol2
52. 2QBQ_ligand0.mol2
53. BindingDB_50219574.mol2
54. 2QBQ-voxthresh-1.pdb
55. BindingDB_50219605.docklog
56. log-results_tab.log
57. BindingDB_50219570.mol2
58. 2QBQ-voxthresh-4.pdb
59. 2QBQ-voxthresh-6.pdb
60. 2QBQ.mol2
61. 2QBQ-voxthresh-9.pdb
62. protein_sampling.mol2
63. 2QBQ-voxthresh-3.pdb
64. 2QBQ-voxthresh-10.pdb
65. BindingDB_50219603.mol2
66. BindingDB_50219598.docklog.mol2
67. BindingDB_50219570.frags.mol2
68. log
69. BindingDB_50219594.docklog
70. BindingDB_50219594.docklog.mol2
71. BindingDB_50219578.mol2
72. BindingDB_50219578.docklog.mol2
73. BindingDB_50219598.mol2
74. BindingDB_14266.docklog.results_tab.log
75. BindingDB_50219605.frags.mol2
76. BindingDB_50219601.docklog.mol2
77. BindingDB_50219590.mol2
78. BindingDB_50219590.docklog.results_tab.log
79. 2QBQ-voxthresh-0.pdb
80. BindingDB_50219601.frags.mol2
81. 2QBQ-protomol.mol2
82. 4B3.sdf
83. BindingDB_50219597.docklog.mol2
84. 2QBQ-results_BindingDB_50219573.mol2
85. BindingDB_50219573.docklog.results_tab.log
86. BindingDB_50219597.frags.mol2
87. scale
88. 2QBQ-results_BindingDB_50219601.mol2
89. frag2.mol2
90. BindingDB_50219597.mol2
91. 2QBQ_congener-log.txt
92. prot.mol2
93. 2QBQ-results_BindingDB_50219590.mol2
94. 2QBQ-results_BindingDB_14266.mol2
95. 2QBQ.pdb
96. 2QBQ-results_BindingDB_50219597.mol2
97. BindingDB_14266.docklog.mol2
98. BindingDB_50219598.docklog
99. BindingDB_50219564.docklog
100. BindingDB_50219591.docklog.mol2
101. BindingDB_50219603.docklog.results_tab.log
102. BindingDB_50219574.docklog.mol2
103. BindingDB_50219594.docklog.results_tab.log
104. BindingDB_50219603.frags.mol2
105. BindingDB_14266.mol2
106. BindingDB_50219587.mol2
107. 2QBQ-voxthresh-5.pdb
108. BindingDB_50219564.docklog.mol2
109. 2QBQ_sdf-log.txt
110. BindingDB_50219591.frags.mol2
111. 2QBQ-results_BindingDB_50219591.mol2
112. BindingDB_14266.frags.mol2
113. BindingDB_50219594.frags.mol2
114. BindingDB_50219596.mol2
115. BindingDB_50219578.frags.mol2
116. BindingDB_50219590.frags.mol2
117. bdb_2QBQ_4B3_sim.txt
118. BindingDB_50219596.frags.mol2
119. 2QBQ-results_BindingDB_50219578.mol2
120. BindingDB_50219573.frags.mol2
121. BindingDB_14266.docklog
122. BindingDB_50219587.docklog.results_tab.log
123. BindingDB_50219596.docklog
124. BindingDB_50219579.docklog.results_tab.log
125. 2QBQ-results.mol2
126. BindingDB_50219596.docklog.mol2
127. BindingDB_50219573.docklog
128. BindingDB_50219573.mol2
129. BindingDB_50219605.mol2
130. BindingDB_50219564.frags.mol2
131. BindingDB_50219579.mol2
132. BindingDB_50219574.frags.mol2
133. frag1.mol2
134. 2QBQ_congener.mol2
135. 2QBQ-results_BindingDB_50219603.mol2
136. BindingDB_50219587.frags.mol2
137. 2QBQ-results_tab.log
138. BindingDB_50219591.mol2