Full input and output files for computationally docked structures of congeneric ligands similar to BDBM10886=D8W in crystal structure 3D8W

1. 3D8W.opt-protein-trim.mol2
2. bdb_3D8W_D8W_3D.sdf
3. BindingDB_50174041.mol2
4. BindingDB_50144828.mol2
5. 3D8W-voxthresh-10.pdb
6. prot-log.txt
7. 3D8W_ligand0.mol2
8. 3D8W-results_BindingDB_11628.mol2
9. BindingDB_10902.docklog.mol2
10. BindingDB_50174041.docklog.results_tab.log
11. BindingDB_50174034.docklog.results_tab.log
12. BindingDB_50144828.docklog.results_tab.log
13. BindingDB_11628.docklog.results_tab.log
14. 3D8W-results_tab.log
15. BindingDB_11623.frags.mol2
16. 3D8W-protomol.mol2
17. BindingDB_11621.docklog.mol2
18. BindingDB_11621.frags.mol2
19. 3D8W-marked-vox.pdb
20. BindingDB_11631.docklog.results_tab.log
21. BindingDB_91712.mol2
22. BindingDB_11633.frags.mol2
23. 3D8W-voxthresh-5.pdb
24. BindingDB_11622.mol2
25. 3D8W_congener-log.txt
26. 3D8W-results_BindingDB_11633.mol2
27. BindingDB_10870.mol2
28. BindingDB_50174041.docklog
29. 3D8W-voxthresh-1.pdb
30. BindingDB_11427.frags.mol2
31. 3D8W-results_BindingDB_11427.mol2
32. BindingDB_10870.docklog.mol2
33. BindingDB_50174034.docklog
34. BindingDB_50155539.frags.mol2
35. BindingDB_10870.frags.mol2
36. BindingDB_11427.docklog.mol2
37. log-results.mol2
38. BindingDB_11631.docklog
39. BindingDB_91712.docklog.mol2
40. BindingDB_11624.mol2
41. BindingDB_50135621.frags.mol2
42. BindingDB_11427.docklog
43. BindingDB_10870.docklog.results_tab.log
44. BindingDB_50174034.mol2
45. BindingDB_50135621.docklog.mol2
46. BindingDB_11631.mol2
47. BindingDB_50135621.docklog.results_tab.log
48. BindingDB_11628.frags.mol2
49. 3D8W-results_BindingDB_11623.mol2
50. 3D8W-voxthresh-6.pdb
51. BindingDB_11624.docklog.results_tab.log
52. BindingDB_11622.docklog.mol2
53. BindingDB_50144828.docklog
54. 3D8W-results.mol2
55. BindingDB_50174034.frags.mol2
56. log-results_tab.log
57. BindingDB_10886.docklog.results_tab.log
58. BindingDB_50174041.frags.mol2
59. BindingDB_10902.docklog
60. 3D8W_sdf-log.txt
61. BindingDB_10902.docklog.results_tab.log
62. BindingDB_11621.docklog.results_tab.log
63. BindingDB_10902.frags.mol2
64. protein_sampling.mol2
65. 3D8W-results_BindingDB_10886.mol2
66. 3D8W-voxthresh-4.pdb
67. BindingDB_10886.docklog
68. 3D8W-results_BindingDB_10870.mol2
69. BindingDB_11628.mol2
70. BindingDB_11631.docklog.mol2
71. BindingDB_10902.mol2
72. log
73. BindingDB_11624.docklog
74. 3D8W-voxthresh-9.pdb
75. ligand_sampling.mol2
76. 3D8W.pdb
77. BindingDB_50155539.mol2
78. 3D8W_sdf.mol2
79. 3D8W.csv
80. BindingDB_11628.docklog
81. BindingDB_50155539.docklog.mol2
82. BindingDB_11624.frags.mol2
83. BindingDB_91712.docklog
84. BindingDB_11623.docklog.results_tab.log
85. BindingDB_10886.frags.mol2
86. BindingDB_11633.docklog.mol2
87. 3D8W-results_BindingDB_91712.mol2
88. 3D8W-results_BindingDB_50155539.mol2
89. BindingDB_10870.docklog
90. BindingDB_11621.mol2
91. scale
92. BindingDB_11633.docklog.results_tab.log
93. frag2.mol2
94. BindingDB_50144828.frags.mol2
95. prot.mol2
96. 3D8W-voxthresh-7.pdb
97. 3D8W-voxthresh-2.pdb
98. BindingDB_50144828.docklog.mol2
99. 3D8W-results_BindingDB_11624.mol2
100. BindingDB_91712.frags.mol2
101. BindingDB_50155539.docklog.results_tab.log
102. BindingDB_11621.docklog
103. BindingDB_11633.docklog
104. 3D8W_congener.mol2
105. BindingDB_11622.docklog.results_tab.log
106. BindingDB_11623.docklog.mol2
107. BindingDB_50155539.docklog
108. 3D8W-voxthresh-3.pdb
109. BindingDB_11427.docklog.results_tab.log
110. bdb_3D8W_D8W_sim.txt
111. BindingDB_11623.docklog
112. BindingDB_10886.mol2
113. 3D8W-voxthresh-0.pdb
114. 3D8W-results_BindingDB_11621.mol2
115. BindingDB_11633.mol2
116. BindingDB_11622.frags.mol2
117. BindingDB_50174041.docklog.mol2
118. D8W.sdf
119. 3D8W-marked-protein.pdb
120. 3D8W_water.mol2
121. BindingDB_50135621.mol2
122. 3D8W-voxthresh-8.pdb
123. 3D8W.Targets
124. BindingDB_50174034.docklog.mol2
125. 3D8W.mol2
126. BindingDB_11628.docklog.mol2
127. BindingDB_11622.docklog
128. BindingDB_11624.docklog.mol2
129. BindingDB_11427.mol2
130. BindingDB_91712.docklog.results_tab.log
131. frag1.mol2
132. BindingDB_11623.mol2
133. BindingDB_11631.frags.mol2
134. BindingDB_50135621.docklog
135. BindingDB_10886.docklog.mol2