Full input and output files for computationally docked structures of congeneric ligands similar to BDBM50317400=AG4 in crystal structure 3F7U

1. 3F7U-voxthresh-6.pdb
2. BindingDB_50317404.docklog.results_tab.log
3. BindingDB_50317400.mol2
4. 3F7U_congener-log.txt
5. 3F7U-results_BindingDB_50317410.mol2
6. 3F7U.Targets
7. BindingDB_50317408.docklog.results_tab.log
8. 3F7U-results_BindingDB_50317404.mol2
9. BindingDB_50317398.docklog.results_tab.log
10. prot-log.txt
11. bdb_3F7U_AG4_sim.txt
12. BindingDB_50317398.frags.mol2
13. BindingDB_50317400.frags.mol2
14. 3F7U-results_BindingDB_50317406.mol2
15. BindingDB_50317415.mol2
16. 3F7U-voxthresh-8.pdb
17. 3F7U.pdb
18. BindingDB_50317403.docklog.mol2
19. BindingDB_50317401.mol2
20. 3F7U-marked-protein.pdb
21. BindingDB_50317403.docklog
22. 3F7U_water.mol2
23. BindingDB_50317402.mol2
24. BindingDB_50317402.docklog.mol2
25. BindingDB_50317400.docklog.results_tab.log
26. BindingDB_50317405.frags.mol2
27. BindingDB_50317408.mol2
28. 3F7U-results_BindingDB_50317408.mol2
29. BindingDB_50317407.frags.mol2
30. 3F7U_sdf-log.txt
31. BindingDB_50317397.docklog
32. BindingDB_50317410.frags.mol2
33. BindingDB_50317405.docklog.mol2
34. BindingDB_50317408.frags.mol2
35. BindingDB_50317406.frags.mol2
36. 3F7U-results_BindingDB_50317399.mol2
37. BindingDB_50317400.docklog.mol2
38. BindingDB_50317398.docklog.mol2
39. BindingDB_50317405.mol2
40. BindingDB_50317406.docklog.mol2
41. BindingDB_50317415.frags.mol2
42. BindingDB_50317403.frags.mol2
43. BindingDB_50317399.docklog.results_tab.log
44. log-results.mol2
45. 3F7U-voxthresh-4.pdb
46. BindingDB_50317401.docklog.results_tab.log
47. 3F7U-voxthresh-2.pdb
48. BindingDB_50317401.frags.mol2
49. BindingDB_50317404.docklog
50. BindingDB_50317399.docklog.mol2
51. BindingDB_50317406.mol2
52. 3F7U-voxthresh-7.pdb
53. BindingDB_50317411.mol2
54. 3F7U-results_BindingDB_50317401.mol2
55. BindingDB_50317401.docklog.mol2
56. 3F7U-results_BindingDB_50317397.mol2
57. BindingDB_50317407.mol2
58. BindingDB_50317410.docklog.results_tab.log
59. 3F7U.opt-protein-trim.mol2
60. 3F7U_sdf.mol2
61. BindingDB_50317405.docklog
62. BindingDB_50317403.mol2
63. log-results_tab.log
64. BindingDB_50317404.frags.mol2
65. 3F7U-voxthresh-10.pdb
66. BindingDB_50317398.docklog
67. BindingDB_50317397.mol2
68. 3F7U-results_BindingDB_50317402.mol2
69. 3F7U_ligand0.mol2
70. 3F7U-voxthresh-5.pdb
71. protein_sampling.mol2
72. BindingDB_50317410.docklog
73. 3F7U-marked-vox.pdb
74. 3F7U-voxthresh-0.pdb
75. 3F7U-results_BindingDB_50317405.mol2
76. BindingDB_50317407.docklog.mol2
77. log
78. BindingDB_50317404.mol2
79. BindingDB_50317408.docklog
80. BindingDB_50317403.docklog.results_tab.log
81. BindingDB_50317407.docklog
82. BindingDB_50317397.docklog.results_tab.log
83. ligand_sampling.mol2
84. 3F7U-results_BindingDB_50317411.mol2
85. bdb_3F7U_AG4_3D.sdf
86. BindingDB_50317407.docklog.results_tab.log
87. 3F7U-voxthresh-9.pdb
88. 3F7U-results_BindingDB_50317407.mol2
89. 3F7U-voxthresh-1.pdb
90. BindingDB_50317406.docklog
91. 3F7U.csv
92. BindingDB_50317397.frags.mol2
93. scale
94. BindingDB_50317399.frags.mol2
95. frag2.mol2
96. BindingDB_50317411.frags.mol2
97. 3F7U-voxthresh-3.pdb
98. prot.mol2
99. 3F7U-results.mol2
100. BindingDB_50317415.docklog.results_tab.log
101. BindingDB_50317415.docklog.mol2
102. BindingDB_50317400.docklog
103. BindingDB_50317402.frags.mol2
104. BindingDB_50317408.docklog.mol2
105. BindingDB_50317397.docklog.mol2
106. BindingDB_50317410.docklog.mol2
107. 3F7U-results_BindingDB_50317400.mol2
108. BindingDB_50317411.docklog
109. BindingDB_50317399.docklog
110. 3F7U-results_tab.log
111. BindingDB_50317415.docklog
112. 3F7U-results_BindingDB_50317398.mol2
113. 3F7U-results_BindingDB_50317403.mol2
114. BindingDB_50317399.mol2
115. BindingDB_50317411.docklog.results_tab.log
116. 3F7U.mol2
117. BindingDB_50317404.docklog.mol2
118. BindingDB_50317401.docklog
119. BindingDB_50317405.docklog.results_tab.log
120. BindingDB_50317402.docklog
121. BindingDB_50317406.docklog.results_tab.log
122. BindingDB_50317410.mol2
123. frag1.mol2
124. BindingDB_50317398.mol2
125. BindingDB_50317402.docklog.results_tab.log
126. BindingDB_50317411.docklog.mol2
127. 3F7U-protomol.mol2
128. 3F7U_congener.mol2
129. AG4.sdf