Full input and output files for computationally docked structures of congeneric ligands similar to BDBM17152=C62 in crystal structure 2UZO

1. BindingDB_17153.docklog.results_tab.log
2. 2UZO-voxthresh-10.pdb
3. BindingDB_17142.docklog.mol2
4. BindingDB_17150.docklog
5. BindingDB_17146.frags.mol2
6. BindingDB_17147.docklog.mol2
7. prot-log.txt
8. BindingDB_17148.docklog.results_tab.log
9. 2UZO.pdb
10. BindingDB_50270880.docklog.mol2
11. BindingDB_17148.mol2
12. BindingDB_17153.mol2
13. BindingDB_50270880.docklog
14. BindingDB_17145.docklog.results_tab.log
15. 2UZO-results_BindingDB_17150.mol2
16. BindingDB_17149.docklog
17. BindingDB_17149.mol2
18. BindingDB_17151.mol2
19. 2UZO.mol2
20. BindingDB_17150.docklog.mol2
21. 2UZO-results_BindingDB_17146.mol2
22. BindingDB_17145.mol2
23. 2UZO-voxthresh-0.pdb
24. BindingDB_17143.mol2
25. BindingDB_17153.docklog.mol2
26. 2UZO-voxthresh-6.pdb
27. bdb_2UZO_C62_sim.txt
28. BindingDB_17144.mol2
29. BindingDB_17153.frags.mol2
30. BindingDB_17146.docklog
31. BindingDB_17147.mol2
32. BindingDB_17148.docklog
33. BindingDB_17147.frags.mol2
34. 2UZO_sdf-log.txt
35. BindingDB_17141.docklog
36. BindingDB_17143.docklog.mol2
37. BindingDB_17152.docklog.results_tab.log
38. BindingDB_17148.docklog.mol2
39. BindingDB_17149.docklog.results_tab.log
40. BindingDB_17145.docklog.mol2
41. 2UZO-voxthresh-8.pdb
42. 2UZO-results.mol2
43. log-results.mol2
44. 2UZO-voxthresh-1.pdb
45. BindingDB_17143.docklog.results_tab.log
46. BindingDB_17145.frags.mol2
47. 2UZO_congener.mol2
48. BindingDB_50270880.frags.mol2
49. BindingDB_17152.docklog
50. 2UZO-voxthresh-7.pdb
51. 2UZO-results_BindingDB_17141.mol2
52. BindingDB_17151.docklog
53. 2UZO-results_BindingDB_17148.mol2
54. 2UZO-marked-vox.pdb
55. BindingDB_17150.frags.mol2
56. BindingDB_17144.docklog.mol2
57. log-results_tab.log
58. BindingDB_17151.frags.mol2
59. BindingDB_17151.docklog.mol2
60. BindingDB_17148.frags.mol2
61. BindingDB_17150.docklog.results_tab.log
62. 2UZO-results_BindingDB_17149.mol2
63. 2UZO-results_BindingDB_17145.mol2
64. 2UZO-results_tab.log
65. 2UZO-voxthresh-3.pdb
66. 2UZO-voxthresh-4.pdb
67. 2UZO-results_BindingDB_17144.mol2
68. 2UZO_water.mol2
69. log
70. 2UZO_congener-log.txt
71. 2UZO.Targets
72. BindingDB_17141.docklog.results_tab.log
73. 2UZO-protomol.mol2
74. 2UZO.opt-protein-trim.mol2
75. BindingDB_17153.docklog
76. BindingDB_17144.frags.mol2
77. BindingDB_17149.frags.mol2
78. BindingDB_17150.mol2
79. BindingDB_17142.mol2
80. 2UZO-voxthresh-2.pdb
81. BindingDB_17152.mol2
82. scale
83. BindingDB_17147.docklog.results_tab.log
84. frag2.mol2
85. 2UZO-results_BindingDB_17151.mol2
86. prot.mol2
87. BindingDB_17147.docklog
88. BindingDB_17146.mol2
89. BindingDB_17149.docklog.mol2
90. BindingDB_17142.frags.mol2
91. BindingDB_17142.docklog
92. BindingDB_17141.docklog.mol2
93. BindingDB_17151.docklog.results_tab.log
94. 2UZO-voxthresh-9.pdb
95. BindingDB_17145.docklog
96. BindingDB_17144.docklog
97. 2UZO_ligand0.mol2
98. 2UZO-results_BindingDB_17142.mol2
99. BindingDB_17143.docklog
100. BindingDB_50270880.mol2
101. bdb_2UZO_C62_3D.sdf
102. BindingDB_17143.frags.mol2
103. BindingDB_17152.docklog.mol2
104. BindingDB_17146.docklog.mol2
105. 2UZO-marked-protein.pdb
106. BindingDB_17141.mol2
107. BindingDB_17141.frags.mol2
108. 2UZO-results_BindingDB_17152.mol2
109. BindingDB_17146.docklog.results_tab.log
110. C62.sdf
111. 2UZO.csv
112. BindingDB_17142.docklog.results_tab.log
113. BindingDB_17152.frags.mol2
114. 2UZO-results_BindingDB_17143.mol2
115. frag1.mol2
116. 2UZO-results_BindingDB_17147.mol2
117. 2UZO_sdf.mol2
118. 2UZO-voxthresh-5.pdb
119. BindingDB_17144.docklog.results_tab.log
120. BindingDB_50270880.docklog.results_tab.log