Full input and output files for computationally docked structures of congeneric ligands similar to BDBM50325171=X8E in crystal structure 2X8E

1. BindingDB_50325149.docklog.mol2
2. BindingDB_50325165.mol2
3. BindingDB_50325170.docklog.mol2
4. BindingDB_50325159.docklog
5. prot-log.txt
6. 2X8E-results.mol2
7. 2X8E-results_BindingDB_50325159.mol2
8. BindingDB_50325156.frags.mol2
9. 2X8E-results_BindingDB_50325168.mol2
10. BindingDB_50325170.frags.mol2
11. 2X8E-results_BindingDB_50325170.mol2
12. BindingDB_50325144.docklog.mol2
13. BindingDB_50325143.frags.mol2
14. 2X8E_ligand0.mol2
15. 2X8E.mol2
16. 2X8E_ligand1.mol2
17. 2X8E-results_BindingDB_50325149.mol2
18. 2X8E-voxthresh-2.pdb
19. BindingDB_50325169.docklog.mol2
20. 2X8E-voxthresh-5.pdb
21. BindingDB_50379571.docklog.results_tab.log
22. BindingDB_50325144.mol2
23. 2X8E_sdf-log.txt
24. BindingDB_50325165.docklog.results_tab.log
25. 2X8E-results_BindingDB_50325145.mol2
26. 2X8E-results_BindingDB_50325171.mol2
27. log-results.mol2
28. BindingDB_50325167.docklog.mol2
29. BindingDB_50325143.docklog.mol2
30. 2X8E.opt-protein-trim.mol2
31. BindingDB_50325168.frags.mol2
32. 2X8E-marked-protein.pdb
33. BindingDB_50325172.docklog.results_tab.log
34. 2X8E-marked-vox.pdb
35. BindingDB_50325144.docklog.results_tab.log
36. BindingDB_50325160.docklog
37. BindingDB_50325166.frags.mol2
38. 2X8E-results_BindingDB_50325169.mol2
39. BindingDB_50325169.docklog.results_tab.log
40. BindingDB_50325145.frags.mol2
41. BindingDB_50325167.mol2
42. BindingDB_50325149.docklog.results_tab.log
43. BindingDB_50325167.frags.mol2
44. 2X8E-results_BindingDB_50325160.mol2
45. BindingDB_50325149.frags.mol2
46. BindingDB_50325170.mol2
47. BindingDB_50325160.docklog.mol2
48. log-results_tab.log
49. BindingDB_50325167.docklog.results_tab.log
50. BindingDB_50325169.docklog
51. BindingDB_50325165.frags.mol2
52. BindingDB_50325160.docklog.results_tab.log
53. BindingDB_50325170.docklog.results_tab.log
54. BindingDB_50325145.docklog.mol2
55. 2X8E-results_BindingDB_50325143.mol2
56. protein_sampling.mol2
57. BindingDB_50325171.docklog.results_tab.log
58. BindingDB_50325169.frags.mol2
59. 2X8E-voxthresh-6.pdb
60. 2X8E.csv
61. BindingDB_50379571.docklog
62. BindingDB_50379571.docklog.mol2
63. BindingDB_50325156.docklog
64. BindingDB_50325166.docklog.results_tab.log
65. BindingDB_50325143.mol2
66. BindingDB_50325168.docklog.results_tab.log
67. bdb_2X8E_X8E_3D.sdf
68. 2X8E_sdf.mol2
69. 2X8E-results_BindingDB_50325166.mol2
70. BindingDB_50325172.frags.mol2
71. 2X8E.Targets
72. X8E.sdf
73. BindingDB_50325160.mol2
74. log
75. BindingDB_50325149.docklog
76. 2X8E-results_tab.log
77. BindingDB_50325165.docklog
78. BindingDB_50325143.docklog.results_tab.log
79. BindingDB_50325168.docklog.mol2
80. BindingDB_50325170.docklog
81. BindingDB_50325159.mol2
82. 2X8E-results_BindingDB_50325144.mol2
83. BindingDB_50325171.docklog.mol2
84. 2X8E-results_BindingDB_50325172.mol2
85. BindingDB_50325149.mol2
86. 2X8E-voxthresh-8.pdb
87. BindingDB_50325156.docklog.mol2
88. bdb_2X8E_X8E_sim.txt
89. BindingDB_50325168.mol2
90. BindingDB_50325171.frags.mol2
91. 2X8E-voxthresh-9.pdb
92. 2X8E-results_BindingDB_50325167.mol2
93. 2X8E-protomol.mol2
94. 2X8E.pdb
95. scale
96. frag2.mol2
97. 2X8E_congener-log.txt
98. prot.mol2
99. 2X8E-voxthresh-0.pdb
100. BindingDB_50325143.docklog
101. 2X8E-voxthresh-4.pdb
102. BindingDB_50325156.docklog.results_tab.log
103. BindingDB_50325171.docklog
104. BindingDB_50325160.frags.mol2
105. BindingDB_50325165.docklog.mol2
106. BindingDB_50325145.mol2
107. BindingDB_50325172.mol2
108. 2X8E-voxthresh-7.pdb
109. 2X8E_water.mol2
110. 2X8E_ligand2.mol2
111. BindingDB_50325145.docklog.results_tab.log
112. BindingDB_50325144.docklog
113. BindingDB_50325166.mol2
114. BindingDB_50379571.mol2
115. 2X8E-voxthresh-3.pdb
116. BindingDB_50325156.mol2
117. BindingDB_50325168.docklog
118. 2X8E-results_BindingDB_50325165.mol2
119. BindingDB_50325172.docklog.mol2
120. BindingDB_50325144.frags.mol2
121. BindingDB_50325159.docklog.mol2
122. BindingDB_50325172.docklog
123. BindingDB_50379571.frags.mol2
124. BindingDB_50325159.frags.mol2
125. BindingDB_50325166.docklog
126. 2X8E_congener.mol2
127. BindingDB_50325171.mol2
128. BindingDB_50325166.docklog.mol2
129. 2X8E-voxthresh-1.pdb
130. BindingDB_50325145.docklog
131. frag1.mol2
132. BindingDB_50325159.docklog.results_tab.log
133. BindingDB_50325167.docklog
134. BindingDB_50325169.mol2