Full input and output files for computationally docked structures of congeneric ligands similar to BDBM24650=LZD in crystal structure 2VTT

1. BindingDB_24654.docklog.results_tab.log
2. 2VTT-marked-vox.pdb
3. BindingDB_24653.docklog.mol2
4. prot-log.txt
5. BindingDB_24643.docklog.results_tab.log
6. BindingDB_24645.frags.mol2
7. 2VTT-results_BindingDB_24647.mol2
8. 2VTT-voxthresh-6.pdb
9. 2VTT-results_BindingDB_24650.mol2
10. BindingDB_24639.mol2
11. BindingDB_24652.docklog.results_tab.log
12. BindingDB_24653.frags.mol2
13. BindingDB_24644.docklog.results_tab.log
14. BindingDB_24647.docklog.results_tab.log
15. 2VTT-voxthresh-4.pdb
16. BindingDB_24646.mol2
17. BindingDB_24649.docklog.results_tab.log
18. BindingDB_24644.docklog.mol2
19. BindingDB_24654.mol2
20. 2VTT-results_BindingDB_24648.mol2
21. 2VTT-voxthresh-2.pdb
22. BindingDB_24641.mol2
23. BindingDB_24648.frags.mol2
24. BindingDB_24652.docklog.mol2
25. 2VTT.csv
26. BindingDB_24643.docklog
27. 2VTT-results_BindingDB_24653.mol2
28. BindingDB_24647.docklog.mol2
29. bdb_2VTT_LZD_sim.txt
30. 2VTT-protomol.mol2
31. BindingDB_24649.docklog.mol2
32. 2VTT-results_BindingDB_24645.mol2
33. 2VTT.Targets
34. BindingDB_24645.docklog.results_tab.log
35. log-results.mol2
36. BindingDB_24640.frags.mol2
37. BindingDB_24652.mol2
38. BindingDB_24652.docklog
39. BindingDB_24648.docklog.mol2
40. 2VTT.pdb
41. 2VTT-voxthresh-10.pdb
42. BindingDB_24649.mol2
43. 2VTT_sdf-log.txt
44. BindingDB_24653.docklog.results_tab.log
45. 2VTT_sdf.mol2
46. 2VTT-results_BindingDB_24644.mol2
47. BindingDB_24641.frags.mol2
48. 2VTT-results_BindingDB_24639.mol2
49. BindingDB_24651.docklog.mol2
50. 2VTT-voxthresh-7.pdb
51. BindingDB_24640.docklog.results_tab.log
52. BindingDB_24651.frags.mol2
53. BindingDB_24646.docklog.mol2
54. 2VTT-voxthresh-3.pdb
55. log-results_tab.log
56. BindingDB_24649.frags.mol2
57. BindingDB_24639.docklog.mol2
58. BindingDB_24645.mol2
59. 2VTT-results_BindingDB_24641.mol2
60. BindingDB_24641.docklog.results_tab.log
61. BindingDB_24645.docklog.mol2
62. BindingDB_24649.docklog
63. BindingDB_24639.docklog
64. 2VTT-results.mol2
65. 2VTT_congener.mol2
66. BindingDB_24654.docklog.mol2
67. BindingDB_24641.docklog.mol2
68. BindingDB_24651.mol2
69. BindingDB_24639.docklog.results_tab.log
70. log
71. BindingDB_24653.mol2
72. BindingDB_24640.docklog
73. BindingDB_24643.frags.mol2
74. BindingDB_24650.docklog.results_tab.log
75. BindingDB_24647.docklog
76. BindingDB_24648.mol2
77. BindingDB_24644.docklog
78. 2VTT-voxthresh-1.pdb
79. 2VTT-voxthresh-0.pdb
80. 2VTT.mol2
81. BindingDB_24647.mol2
82. scale
83. BindingDB_24651.docklog.results_tab.log
84. BindingDB_24643.mol2
85. frag2.mol2
86. LZD.sdf
87. BindingDB_24648.docklog.results_tab.log
88. prot.mol2
89. BindingDB_24640.mol2
90. BindingDB_24650.mol2
91. 2VTT-results_BindingDB_24652.mol2
92. 2VTT_congener-log.txt
93. BindingDB_24647.frags.mol2
94. bdb_2VTT_LZD_3D.sdf
95. BindingDB_24651.docklog
96. BindingDB_24641.docklog
97. BindingDB_24639.frags.mol2
98. BindingDB_24645.docklog
99. BindingDB_24646.docklog
100. BindingDB_24646.frags.mol2
101. BindingDB_24640.docklog.mol2
102. BindingDB_24646.docklog.results_tab.log
103. 2VTT.opt-protein-trim.mol2
104. BindingDB_24643.docklog.mol2
105. BindingDB_24648.docklog
106. BindingDB_24650.docklog
107. 2VTT-results_BindingDB_24649.mol2
108. 2VTT-results_BindingDB_24646.mol2
109. BindingDB_24650.frags.mol2
110. 2VTT_ligand0.mol2
111. BindingDB_24654.docklog
112. 2VTT-results_tab.log
113. BindingDB_24650.docklog.mol2
114. 2VTT-voxthresh-9.pdb
115. BindingDB_24644.frags.mol2
116. BindingDB_24653.docklog
117. 2VTT-results_BindingDB_24643.mol2
118. 2VTT-results_BindingDB_24640.mol2
119. frag1.mol2
120. 2VTT-voxthresh-8.pdb
121. BindingDB_24644.mol2
122. BindingDB_24652.frags.mol2
123. 2VTT-marked-protein.pdb
124. 2VTT-voxthresh-5.pdb
125. BindingDB_24654.frags.mol2
126. 2VTT_water.mol2
127. 2VTT-results_BindingDB_24651.mol2