Full input and output files for computationally docked structures of congeneric ligands similar to BDBM50195334=1BM in crystal structure 2HK5

1. 2HK5.pdb
2. BindingDB_50311944.docklog
3. 2HK5-results.mol2
4. prot-log.txt
5. 2HK5-marked-vox.pdb
6. BindingDB_50311935.mol2
7. BindingDB_50311931.docklog.results_tab.log
8. BindingDB_50311942.mol2
9. 2HK5_water.mol2
10. 2HK5-results_tab.log
11. BindingDB_50311936.docklog.mol2
12. BindingDB_50311939.mol2
13. BindingDB_50311943.docklog.mol2
14. 2HK5_sdf.mol2
15. BindingDB_50311943.frags.mol2
16. 2HK5_ligand0.mol2
17. BindingDB_50311893.docklog.results_tab.log
18. BindingDB_50311892.frags.mol2
19. BindingDB_50311942.docklog.mol2
20. BindingDB_50311892.docklog.mol2
21. BindingDB_50195334.docklog.mol2
22. BindingDB_50311932.frags.mol2
23. BindingDB_50311893.frags.mol2
24. 2HK5.csv
25. BindingDB_50195334.mol2
26. BindingDB_50311939.docklog.results_tab.log
27. 2HK5-marked-protein.pdb
28. BindingDB_50195334.frags.mol2
29. BindingDB_50311893.docklog.mol2
30. log-results.mol2
31. BindingDB_50195334.docklog.results_tab.log
32. BindingDB_50311944.docklog.results_tab.log
33. bdb_2HK5_1BM_3D.sdf
34. BindingDB_50311939.frags.mol2
35. BindingDB_50311942.docklog.results_tab.log
36. BindingDB_50311934.docklog.mol2
37. BindingDB_50311932.mol2
38. 2HK5-protomol.mol2
39. BindingDB_50311944.frags.mol2
40. 2HK5-results_BindingDB_50311930.mol2
41. BindingDB_50311911.docklog.mol2
42. BindingDB_50311932.docklog
43. log-results_tab.log
44. BindingDB_50311936.docklog
45. 2HK5_sdf-log.txt
46. BindingDB_50311931.docklog
47. BindingDB_50311930.mol2
48. protein_sampling.mol2
49. 1BM.sdf
50. BindingDB_50311943.docklog.results_tab.log
51. BindingDB_50311939.docklog
52. BindingDB_50311932.docklog.results_tab.log
53. BindingDB_50311944.docklog.mol2
54. BindingDB_50311911.frags.mol2
55. 2HK5-voxthresh-9.pdb
56. BindingDB_50311943.mol2
57. BindingDB_50311943.docklog
58. BindingDB_50311892.docklog.results_tab.log
59. log
60. 2HK5-voxthresh-3.pdb
61. BindingDB_50311934.mol2
62. ligand_sampling.mol2
63. BindingDB_50311936.docklog.results_tab.log
64. BindingDB_50311915.mol2
65. 2HK5.mol2
66. 2HK5-voxthresh-8.pdb
67. 2HK5-voxthresh-2.pdb
68. BindingDB_50311911.mol2
69. BindingDB_50311893.docklog
70. BindingDB_50311911.docklog
71. bdb_2HK5_1BM_sim.txt
72. BindingDB_50311932.docklog.mol2
73. BindingDB_50311930.docklog.mol2
74. BindingDB_50311936.frags.mol2
75. BindingDB_50311935.docklog.results_tab.log
76. BindingDB_50311935.frags.mol2
77. 2HK5.Targets
78. BindingDB_50311915.frags.mol2
79. BindingDB_50311892.docklog
80. scale
81. frag2.mol2
82. BindingDB_50311942.frags.mol2
83. prot.mol2
84. BindingDB_50311930.docklog.results_tab.log
85. BindingDB_50311936.mol2
86. 2HK5-voxthresh-0.pdb
87. BindingDB_50311892.mol2
88. 2HK5-voxthresh-5.pdb
89. BindingDB_50311930.docklog
90. BindingDB_50311893.mol2
91. BindingDB_50311915.docklog.mol2
92. UnDockable.list
93. BindingDB_50311935.docklog
94. BindingDB_50195334.docklog
95. BindingDB_50311931.frags.mol2
96. 2HK5-voxthresh-4.pdb
97. 2HK5_congener-log.txt
98. BindingDB_50311935.docklog.mol2
99. BindingDB_50311934.docklog
100. BindingDB_50311934.frags.mol2
101. BindingDB_50311942.docklog
102. BindingDB_50311931.docklog.mol2
103. BindingDB_50311930.frags.mol2
104. BindingDB_50311939.docklog.mol2
105. BindingDB_50311915.docklog
106. BindingDB_50311931.mol2
107. 2HK5_congener.mol2
108. BindingDB_50311915.docklog.results_tab.log
109. BindingDB_50311911.docklog.results_tab.log
110. 2HK5-voxthresh-6.pdb
111. 2HK5.opt-protein-trim.mol2
112. 2HK5-voxthresh-7.pdb
113. frag1.mol2
114. BindingDB_50311944.mol2
115. BindingDB_50311934.docklog.results_tab.log
116. 2HK5-voxthresh-1.pdb