Full input and output files for computationally docked structures of congeneric ligands similar to BDBM17151=C96 in crystal structure 2UZN

1. BindingDB_7243.mol2
2. BindingDB_17153.docklog.results_tab.log
3. BindingDB_17142.docklog.mol2
4. BindingDB_17150.docklog
5. BindingDB_17146.frags.mol2
6. 2UZN-results_BindingDB_17149.mol2
7. BindingDB_7242.frags.mol2
8. BindingDB_7242.docklog.mol2
9. bdb_2UZN_C96_3D.sdf
10. BindingDB_17147.docklog.mol2
11. prot-log.txt
12. BindingDB_17148.docklog.results_tab.log
13. BindingDB_17148.mol2
14. BindingDB_17153.mol2
15. 2UZN-voxthresh-2.pdb
16. BindingDB_17145.docklog.results_tab.log
17. BindingDB_17149.docklog
18. BindingDB_17149.mol2
19. BindingDB_17151.mol2
20. 2UZN-results_BindingDB_17151.mol2
21. BindingDB_17150.docklog.mol2
22. 2UZN-results_BindingDB_17144.mol2
23. BindingDB_17145.mol2
24. BindingDB_17143.mol2
25. BindingDB_17153.docklog.mol2
26. 2UZN.csv
27. 2UZN.mol2
28. 2UZN-results_BindingDB_17141.mol2
29. BindingDB_17144.mol2
30. BindingDB_17153.frags.mol2
31. 2UZN.pdb
32. 2UZN-results_BindingDB_17148.mol2
33. BindingDB_17146.docklog
34. BindingDB_17147.mol2
35. BindingDB_17148.docklog
36. BindingDB_17147.frags.mol2
37. BindingDB_17141.docklog
38. BindingDB_17143.docklog.mol2
39. BindingDB_50205477.frags.mol2
40. 2UZN-voxthresh-4.pdb
41. BindingDB_17152.docklog.results_tab.log
42. 2UZN-results_BindingDB_17146.mol2
43. BindingDB_17148.docklog.mol2
44. BindingDB_17149.docklog.results_tab.log
45. BindingDB_17145.docklog.mol2
46. BindingDB_50205477.docklog
47. log-results.mol2
48. BindingDB_17143.docklog.results_tab.log
49. BindingDB_17145.frags.mol2
50. 2UZN_sdf-log.txt
51. BindingDB_17152.docklog
52. 2UZN-marked-vox.pdb
53. 2UZN_water.mol2
54. 2UZN-voxthresh-1.pdb
55. BindingDB_17151.docklog
56. BindingDB_50205477.docklog.mol2
57. BindingDB_17150.frags.mol2
58. BindingDB_17144.docklog.mol2
59. BindingDB_7243.docklog.mol2
60. BindingDB_50205477.mol2
61. 2UZN-voxthresh-7.pdb
62. log-results_tab.log
63. 2UZN_ligand0.mol2
64. BindingDB_17151.frags.mol2
65. BindingDB_17151.docklog.mol2
66. BindingDB_17148.frags.mol2
67. 2UZN-results_tab.log
68. BindingDB_17150.docklog.results_tab.log
69. 2UZN-results_BindingDB_17145.mol2
70. BindingDB_7243.docklog.results_tab.log
71. 2UZN-voxthresh-6.pdb
72. 2UZN_congener.mol2
73. log
74. C96.sdf
75. 2UZN-results_BindingDB_17143.mol2
76. bdb_2UZN_C96_sim.txt
77. 2UZN-voxthresh-8.pdb
78. BindingDB_17141.docklog.results_tab.log
79. 2UZN-results_BindingDB_17147.mol2
80. BindingDB_50205477.docklog.results_tab.log
81. BindingDB_17153.docklog
82. BindingDB_17144.frags.mol2
83. BindingDB_17149.frags.mol2
84. BindingDB_17150.mol2
85. BindingDB_17142.mol2
86. 2UZN.opt-protein-trim.mol2
87. BindingDB_17152.mol2
88. 2UZN-voxthresh-0.pdb
89. BindingDB_7243.docklog
90. 2UZN_congener-log.txt
91. scale
92. BindingDB_17147.docklog.results_tab.log
93. frag2.mol2
94. prot.mol2
95. BindingDB_17147.docklog
96. BindingDB_7243.frags.mol2
97. BindingDB_17146.mol2
98. BindingDB_17149.docklog.mol2
99. 2UZN-protomol.mol2
100. BindingDB_17142.frags.mol2
101. 2UZN-results_BindingDB_17142.mol2
102. 2UZN-voxthresh-9.pdb
103. 2UZN_sdf.mol2
104. BindingDB_17142.docklog
105. BindingDB_17141.docklog.mol2
106. BindingDB_17151.docklog.results_tab.log
107. BindingDB_17145.docklog
108. 2UZN-voxthresh-5.pdb
109. BindingDB_17144.docklog
110. 2UZN-results_BindingDB_17150.mol2
111. BindingDB_17143.docklog
112. BindingDB_7242.mol2
113. BindingDB_7242.docklog
114. BindingDB_17143.frags.mol2
115. BindingDB_17152.docklog.mol2
116. BindingDB_17146.docklog.mol2
117. 2UZN.Targets
118. BindingDB_17141.mol2
119. 2UZN-voxthresh-3.pdb
120. BindingDB_17141.frags.mol2
121. BindingDB_17146.docklog.results_tab.log
122. 2UZN-marked-protein.pdb
123. BindingDB_7242.docklog.results_tab.log
124. BindingDB_17142.docklog.results_tab.log
125. BindingDB_17152.frags.mol2
126. frag1.mol2
127. 2UZN-results.mol2
128. BindingDB_17144.docklog.results_tab.log