Full input and output files for computationally docked structures of congeneric ligands similar to BDBM11937=AL7 in crystal structure 1BNV

1. 1BNV-results_BindingDB_11936.mol2
2. 1BNV-voxthresh-3.pdb
3. BindingDB_11934.docklog.results_tab.log
4. BindingDB_11390.docklog
5. 1BNV-results_BindingDB_11425.mol2
6. BindingDB_11392.frags.mol2
7. prot-log.txt
8. BindingDB_11425.docklog.results_tab.log
9. BindingDB_11937.docklog.mol2
10. 1BNV-voxthresh-2.pdb
11. 1BNV_congener.mol2
12. 1BNV_sdf.mol2
13. BindingDB_11423.frags.mol2
14. 1BNV.Targets
15. BindingDB_11422.docklog
16. BindingDB_11392.mol2
17. BindingDB_11392.docklog.mol2
18. BindingDB_11933.mol2
19. 1BNV-marked-protein.pdb
20. 1BNV-results_BindingDB_11391.mol2
21. BindingDB_11933.frags.mol2
22. BindingDB_13056.frags.mol2
23. BindingDB_11934.mol2
24. 1BNV-voxthresh-10.pdb
25. 1BNV-voxthresh-5.pdb
26. 1BNV-voxthresh-8.pdb
27. BindingDB_11421.frags.mol2
28. 1BNV.opt-protein-trim.mol2
29. BindingDB_11937.docklog
30. BindingDB_13056.docklog.results_tab.log
31. 1BNV-protomol.mol2
32. log-results.mol2
33. 1BNV-voxthresh-6.pdb
34. BindingDB_11423.docklog
35. BindingDB_11423.mol2
36. BindingDB_13056.docklog
37. 1BNV-results_BindingDB_11934.mol2
38. BindingDB_11390.docklog.results_tab.log
39. BindingDB_11935.frags.mol2
40. 1BNV.csv
41. BindingDB_11392.docklog
42. BindingDB_11390.mol2
43. BindingDB_11421.mol2
44. BindingDB_11936.frags.mol2
45. AL7.sdf
46. BindingDB_11425.frags.mol2
47. BindingDB_11937.frags.mol2
48. BindingDB_11935.mol2
49. 1BNV-results_BindingDB_11421.mol2
50. BindingDB_11936.mol2
51. 1BNV.mol2
52. BindingDB_11425.docklog.mol2
53. 1BNV_congener-log.txt
54. BindingDB_11425.docklog
55. BindingDB_11935.docklog.results_tab.log
56. BindingDB_11392.docklog.results_tab.log
57. BindingDB_50080670.frags.mol2
58. log-results_tab.log
59. BindingDB_50080670.mol2
60. 1BNV_sdf-log.txt
61. 1BNV-results_BindingDB_11932.mol2
62. BindingDB_50080670.docklog.results_tab.log
63. BindingDB_13056.mol2
64. BindingDB_10885.frags.mol2
65. 1BNV.pdb
66. BindingDB_11422.mol2
67. protein_sampling.mol2
68. 1BNV-results_BindingDB_11935.mol2
69. BindingDB_11391.frags.mol2
70. 1BNV-voxthresh-1.pdb
71. BindingDB_11425.mol2
72. BindingDB_13056.docklog.mol2
73. log
74. BindingDB_11932.frags.mol2
75. ligand_sampling.mol2
76. BindingDB_11934.docklog.mol2
77. BindingDB_11935.docklog
78. bdb_1BNV_AL7_sim.txt
79. BindingDB_11934.docklog
80. BindingDB_11390.frags.mol2
81. 1BNV_ligand0.mol2
82. BindingDB_11932.docklog.results_tab.log
83. BindingDB_11936.docklog
84. bdb_1BNV_AL7_3D.sdf
85. 1BNV-voxthresh-7.pdb
86. BindingDB_11933.docklog.results_tab.log
87. BindingDB_11422.frags.mol2
88. 1BNV-results_BindingDB_11937.mol2
89. BindingDB_11936.docklog.mol2
90. BindingDB_11423.docklog.results_tab.log
91. scale
92. frag2.mol2
93. BindingDB_11932.docklog
94. prot.mol2
95. BindingDB_11936.docklog.results_tab.log
96. 1BNV-results.mol2
97. BindingDB_11933.docklog.mol2
98. BindingDB_11421.docklog.mol2
99. 1BNV-results_BindingDB_10885.mol2
100. BindingDB_11391.mol2
101. BindingDB_11932.mol2
102. BindingDB_10885.docklog
103. BindingDB_10885.docklog.mol2
104. 1BNV-marked-vox.pdb
105. BindingDB_11391.docklog
106. 1BNV_water.mol2
107. 1BNV-voxthresh-9.pdb
108. 1BNV-voxthresh-4.pdb
109. BindingDB_11391.docklog.results_tab.log
110. BindingDB_11422.docklog.mol2
111. BindingDB_11421.docklog.results_tab.log
112. BindingDB_50080670.docklog
113. BindingDB_11937.docklog.results_tab.log
114. BindingDB_11421.docklog
115. BindingDB_11391.docklog.mol2
116. BindingDB_10885.mol2
117. 1BNV-results_tab.log
118. BindingDB_11423.docklog.mol2
119. BindingDB_11933.docklog
120. BindingDB_11934.frags.mol2
121. BindingDB_50080670.docklog.mol2
122. BindingDB_11422.docklog.results_tab.log
123. 1BNV-results_BindingDB_11933.mol2
124. 1BNV-voxthresh-0.pdb
125. BindingDB_11935.docklog.mol2
126. BindingDB_10885.docklog.results_tab.log
127. 1BNV-results_BindingDB_11392.mol2
128. BindingDB_11932.docklog.mol2
129. frag1.mol2
130. BindingDB_11937.mol2
131. BindingDB_11390.docklog.mol2