Full input and output files for computationally docked structures of congeneric ligands similar to BDBM50180132=TLM in crystal structure 2VB8

1. BindingDB_50180116.frags.mol2
2. 2VB8-voxthresh-5.pdb
3. BindingDB_50180130.docklog
4. BindingDB_50180123.docklog.results_tab.log
5. BindingDB_50180116.docklog.results_tab.log
6. prot-log.txt
7. 2VB8-marked-protein.pdb
8. BindingDB_50180123.docklog.mol2
9. BindingDB_50138281.docklog
10. 2VB8-results_BindingDB_50180127.mol2
11. TLM.sdf
12. BindingDB_50180127.docklog.mol2
13. 2VB8.mol2
14. 2VB8-voxthresh-1.pdb
15. BindingDB_50180127.frags.mol2
16. BindingDB_50180122.docklog
17. 2VB8-results_BindingDB_50180122.mol2
18. BindingDB_50180122.frags.mol2
19. 2VB8.csv
20. 2VB8-voxthresh-4.pdb
21. BindingDB_50180118.docklog
22. 2VB8-voxthresh-3.pdb
23. BindingDB_50180103.docklog.mol2
24. BindingDB_50180110.docklog
25. 2VB8_sdf.mol2
26. 2VB8_congener.mol2
27. 2VB8_sdf-log.txt
28. BindingDB_50180103.docklog.results_tab.log
29. 2VB8-results.mol2
30. BindingDB_50180118.mol2
31. BindingDB_50180110.docklog.mol2
32. log-results.mol2
33. BindingDB_50138281.docklog.mol2
34. 2VB8-marked-vox.pdb
35. 2VB8-voxthresh-7.pdb
36. BindingDB_50138281.mol2
37. BindingDB_50138281.docklog.results_tab.log
38. BindingDB_50180129.docklog.mol2
39. 2VB8.opt-protein-trim.mol2
40. 2VB8-protomol.mol2
41. 2VB8_congener-log.txt
42. 2VB8-results_BindingDB_50180103.mol2
43. log-results_tab.log
44. BindingDB_50180110.docklog.results_tab.log
45. 2VB8-results_BindingDB_50180123.mol2
46. BindingDB_50180123.mol2
47. BindingDB_50180103.docklog
48. BindingDB_50180122.mol2
49. protein_sampling.mol2
50. BindingDB_50180123.frags.mol2
51. BindingDB_50180110.frags.mol2
52. 2VB8.pdb
53. BindingDB_50180123.docklog
54. 2VB8-results_BindingDB_50180129.mol2
55. 2VB8_ligand0.mol2
56. BindingDB_50180104.frags.mol2
57. log
58. 2VB8.Targets
59. BindingDB_50180103.frags.mol2
60. ligand_sampling.mol2
61. BindingDB_50180130.mol2
62. BindingDB_50180130.frags.mol2
63. BindingDB_50180130.docklog.results_tab.log
64. BindingDB_50180116.mol2
65. BindingDB_50180122.docklog.mol2
66. BindingDB_50138281.frags.mol2
67. BindingDB_50180103.mol2
68. BindingDB_50180129.mol2
69. 2VB8-results_BindingDB_50180118.mol2
70. BindingDB_50180104.docklog.results_tab.log
71. BindingDB_50180118.frags.mol2
72. BindingDB_50180129.frags.mol2
73. BindingDB_50180121.docklog
74. 2VB8-voxthresh-2.pdb
75. BindingDB_50180121.mol2
76. BindingDB_50180122.docklog.results_tab.log
77. scale
78. frag2.mol2
79. 2VB8-voxthresh-0.pdb
80. 2VB8_water.mol2
81. BindingDB_50180129.docklog.results_tab.log
82. prot.mol2
83. BindingDB_50180104.mol2
84. 2VB8-results_BindingDB_50180104.mol2
85. 2VB8-voxthresh-9.pdb
86. 2VB8-results_tab.log
87. BindingDB_50180121.docklog.mol2
88. 2VB8-results_BindingDB_50180121.mol2
89. 2VB8-voxthresh-10.pdb
90. BindingDB_50180110.mol2
91. BindingDB_50180127.docklog.results_tab.log
92. BindingDB_50180127.docklog
93. 2VB8-results_BindingDB_50138281.mol2
94. BindingDB_50180118.docklog.mol2
95. BindingDB_50180127.mol2
96. BindingDB_50180104.docklog.mol2
97. bdb_2VB8_TLM_3D.sdf
98. 2VB8_ligand1.mol2
99. BindingDB_50180121.frags.mol2
100. BindingDB_50180116.docklog.mol2
101. BindingDB_50180130.docklog.mol2
102. 2VB8-results_BindingDB_50180110.mol2
103. BindingDB_50180121.docklog.results_tab.log
104. bdb_2VB8_TLM_sim.txt
105. BindingDB_50180104.docklog
106. BindingDB_50180129.docklog
107. BindingDB_50180118.docklog.results_tab.log
108. 2VB8-results_BindingDB_50180116.mol2
109. frag1.mol2
110. 2VB8-voxthresh-8.pdb
111. 2VB8-voxthresh-6.pdb
112. BindingDB_50180116.docklog