Full input and output files for computationally docked structures of congeneric ligands similar to BDBM17143=C95 in crystal structure 2UZE

1. BindingDB_17142.docklog.mol2
2. 2UZE-results_BindingDB_17141.mol2
3. BindingDB_17150.docklog
4. BindingDB_17146.frags.mol2
5. BindingDB_17147.docklog.mol2
6. prot-log.txt
7. BindingDB_17148.docklog.results_tab.log
8. BindingDB_17148.mol2
9. 2UZE-voxthresh-5.pdb
10. BindingDB_17145.docklog.results_tab.log
11. BindingDB_17149.docklog
12. BindingDB_17149.mol2
13. BindingDB_17151.mol2
14. 2UZE-results_BindingDB_17147.mol2
15. BindingDB_17150.docklog.mol2
16. 2UZE_ligand0.mol2
17. 2UZE-voxthresh-4.pdb
18. BindingDB_17145.mol2
19. BindingDB_17143.mol2
20. 2UZE-voxthresh-10.pdb
21. 2UZE-results_BindingDB_17144.mol2
22. BindingDB_17144.mol2
23. 2UZE-voxthresh-2.pdb
24. BindingDB_17146.docklog
25. BindingDB_17147.mol2
26. BindingDB_17148.docklog
27. BindingDB_17147.frags.mol2
28. BindingDB_17141.docklog
29. BindingDB_17143.docklog.mol2
30. 2UZE-protomol.mol2
31. 2UZE-results_BindingDB_17149.mol2
32. BindingDB_17152.docklog.results_tab.log
33. 2UZE.csv
34. BindingDB_17148.docklog.mol2
35. BindingDB_17149.docklog.results_tab.log
36. BindingDB_17145.docklog.mol2
37. 2UZE-results_BindingDB_17150.mol2
38. log-results.mol2
39. BindingDB_17143.docklog.results_tab.log
40. BindingDB_17145.frags.mol2
41. 2UZE-results_BindingDB_17151.mol2
42. 2UZE-voxthresh-7.pdb
43. BindingDB_17152.docklog
44. BindingDB_17151.docklog
45. 2UZE-voxthresh-0.pdb
46. BindingDB_17150.frags.mol2
47. 2UZE_sdf-log.txt
48. BindingDB_17144.docklog.mol2
49. 2UZE-results_tab.log
50. 2UZE-marked-vox.pdb
51. log-results_tab.log
52. BindingDB_17151.frags.mol2
53. BindingDB_17151.docklog.mol2
54. 2UZE-results_BindingDB_17143.mol2
55. BindingDB_17148.frags.mol2
56. BindingDB_17150.docklog.results_tab.log
57. 2UZE-voxthresh-8.pdb
58. 2UZE-results_BindingDB_17148.mol2
59. log
60. 2UZE.mol2
61. 2UZE_congener.mol2
62. BindingDB_17141.docklog.results_tab.log
63. 2UZE-marked-protein.pdb
64. 2UZE_water.mol2
65. 2UZE_ligand1.mol2
66. BindingDB_17144.frags.mol2
67. BindingDB_17149.frags.mol2
68. BindingDB_17150.mol2
69. BindingDB_17142.mol2
70. BindingDB_17152.mol2
71. scale
72. BindingDB_17147.docklog.results_tab.log
73. frag2.mol2
74. 2UZE-results_BindingDB_17145.mol2
75. prot.mol2
76. 2UZE-voxthresh-3.pdb
77. BindingDB_17147.docklog
78. BindingDB_17146.mol2
79. 2UZE_sdf.mol2
80. 2UZE-voxthresh-9.pdb
81. BindingDB_17149.docklog.mol2
82. BindingDB_17142.frags.mol2
83. BindingDB_17142.docklog
84. BindingDB_17141.docklog.mol2
85. BindingDB_17151.docklog.results_tab.log
86. 2UZE-results.mol2
87. BindingDB_17145.docklog
88. 2UZE.opt-protein-trim.mol2
89. C95.sdf
90. 2UZE_congener-log.txt
91. BindingDB_17144.docklog
92. 2UZE-results_BindingDB_17142.mol2
93. BindingDB_17143.docklog
94. 2UZE.Targets
95. BindingDB_17143.frags.mol2
96. BindingDB_17152.docklog.mol2
97. BindingDB_17146.docklog.mol2
98. BindingDB_17141.mol2
99. BindingDB_17141.frags.mol2
100. 2UZE.pdb
101. BindingDB_17146.docklog.results_tab.log
102. 2UZE-voxthresh-6.pdb
103. BindingDB_17142.docklog.results_tab.log
104. BindingDB_17152.frags.mol2
105. frag1.mol2
106. bdb_2UZE_C95_sim.txt
107. 2UZE-voxthresh-1.pdb
108. BindingDB_17144.docklog.results_tab.log
109. bdb_2UZE_C95_3D.sdf