Full input and output files for computationally docked structures of congeneric ligands similar to BDBM24654=LZE in crystal structure 2VU3

1. 2VU3.mol2
2. BindingDB_24654.docklog.results_tab.log
3. BindingDB_24653.docklog.mol2
4. prot-log.txt
5. BindingDB_24643.docklog.results_tab.log
6. BindingDB_24645.frags.mol2
7. 2VU3-results_BindingDB_24644.mol2
8. BindingDB_24642.mol2
9. 2VU3-voxthresh-1.pdb
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. 2VU3-results_BindingDB_24643.mol2
16. BindingDB_24642.frags.mol2
17. BindingDB_24646.mol2
18. BindingDB_24649.docklog.results_tab.log
19. 2VU3-voxthresh-2.pdb
20. BindingDB_24644.docklog.mol2
21. BindingDB_24654.mol2
22. BindingDB_24641.mol2
23. 2VU3-results_BindingDB_24646.mol2
24. BindingDB_24648.frags.mol2
25. bdb_2VU3_LZE_sim.txt
26. BindingDB_24652.docklog.mol2
27. BindingDB_24643.docklog
28. 2VU3_sdf.mol2
29. BindingDB_24647.docklog.mol2
30. 2VU3-voxthresh-0.pdb
31. BindingDB_24649.docklog.mol2
32. BindingDB_24645.docklog.results_tab.log
33. log-results.mol2
34. BindingDB_24640.frags.mol2
35. BindingDB_24652.mol2
36. BindingDB_24652.docklog
37. BindingDB_24648.docklog.mol2
38. 2VU3_ligand0.mol2
39. BindingDB_24649.mol2
40. bdb_2VU3_LZE_3D.sdf
41. 2VU3.opt-protein-trim.mol2
42. BindingDB_24653.docklog.results_tab.log
43. BindingDB_24642.docklog.mol2
44. 2VU3-marked-vox.pdb
45. BindingDB_24641.frags.mol2
46. 2VU3-results_BindingDB_24654.mol2
47. BindingDB_24651.docklog.mol2
48. BindingDB_24642.docklog.results_tab.log
49. 2VU3.csv
50. BindingDB_24640.docklog.results_tab.log
51. BindingDB_24651.frags.mol2
52. BindingDB_24646.docklog.mol2
53. 2VU3-protomol.mol2
54. log-results_tab.log
55. 2VU3-voxthresh-3.pdb
56. BindingDB_24649.frags.mol2
57. BindingDB_24639.docklog.mol2
58. 2VU3-results_BindingDB_24642.mol2
59. BindingDB_24645.mol2
60. 2VU3_sdf-log.txt
61. BindingDB_24641.docklog.results_tab.log
62. BindingDB_24645.docklog.mol2
63. BindingDB_24649.docklog
64. BindingDB_24639.docklog
65. 2VU3-voxthresh-10.pdb
66. BindingDB_24654.docklog.mol2
67. BindingDB_24641.docklog.mol2
68. 2VU3-results_BindingDB_24652.mol2
69. BindingDB_24651.mol2
70. BindingDB_24639.docklog.results_tab.log
71. log
72. BindingDB_24653.mol2
73. LZE.sdf
74. 2VU3-voxthresh-6.pdb
75. BindingDB_24640.docklog
76. 2VU3-voxthresh-9.pdb
77. 2VU3_water.mol2
78. BindingDB_24643.frags.mol2
79. BindingDB_24650.docklog.results_tab.log
80. BindingDB_24647.docklog
81. BindingDB_24648.mol2
82. BindingDB_24644.docklog
83. 2VU3-marked-protein.pdb
84. 2VU3-voxthresh-4.pdb
85. BindingDB_24647.mol2
86. scale
87. BindingDB_24651.docklog.results_tab.log
88. BindingDB_24643.mol2
89. 2VU3-voxthresh-5.pdb
90. frag2.mol2
91. BindingDB_24648.docklog.results_tab.log
92. prot.mol2
93. BindingDB_24640.mol2
94. 2VU3.pdb
95. 2VU3-results_BindingDB_24651.mol2
96. BindingDB_24642.docklog
97. BindingDB_24650.mol2
98. BindingDB_24647.frags.mol2
99. 2VU3-voxthresh-7.pdb
100. 2VU3-results_BindingDB_24649.mol2
101. BindingDB_24651.docklog
102. BindingDB_24641.docklog
103. BindingDB_24639.frags.mol2
104. 2VU3-results_BindingDB_24645.mol2
105. BindingDB_24645.docklog
106. BindingDB_24646.docklog
107. BindingDB_24646.frags.mol2
108. 2VU3_congener.mol2
109. BindingDB_24640.docklog.mol2
110. BindingDB_24646.docklog.results_tab.log
111. BindingDB_24643.docklog.mol2
112. 2VU3-results_BindingDB_24639.mol2
113. BindingDB_24648.docklog
114. 2VU3.Targets
115. BindingDB_24650.docklog
116. BindingDB_24650.frags.mol2
117. 2VU3-results_tab.log
118. 2VU3-voxthresh-8.pdb
119. BindingDB_24654.docklog
120. BindingDB_24650.docklog.mol2
121. 2VU3_congener-log.txt
122. 2VU3-results_BindingDB_24648.mol2
123. BindingDB_24644.frags.mol2
124. BindingDB_24653.docklog
125. 2VU3-results_BindingDB_24647.mol2
126. 2VU3-results_BindingDB_24641.mol2
127. frag1.mol2
128. 2VU3-results_BindingDB_24650.mol2
129. BindingDB_24644.mol2
130. BindingDB_24652.frags.mol2
131. 2VU3-results.mol2
132. BindingDB_24654.frags.mol2