Full input and output files for computationally docked structures of congeneric ligands similar to BDBM18869=IH5 in crystal structure 1NAX

1. BindingDB_18920.docklog.results_tab.log
2. BindingDB_18930.docklog
3. prot-log.txt
4. 1NAX.csv
5. BindingDB_18931.docklog
6. BindingDB_18913.docklog
7. BindingDB_18929.mol2
8. 1NAX-voxthresh-8.pdb
9. bdb_1NAX_IH5_sim.txt
10. BindingDB_18926.docklog.results_tab.log
11. BindingDB_18935.docklog.results_tab.log
12. BindingDB_18869.docklog.mol2
13. 1NAX-voxthresh-9.pdb
14. 1NAX-voxthresh-4.pdb
15. BindingDB_50171807.docklog.mol2
16. bdb_1NAX_IH5_3D.sdf
17. 1NAX-voxthresh-6.pdb
18. 1NAX-results_BindingDB_18869.mol2
19. BindingDB_18924.docklog.mol2
20. 1NAX_congener-log.txt
21. BindingDB_18930.frags.mol2
22. 1NAX-results_BindingDB_18920.mol2
23. 1NAX.opt-protein-trim.mol2
24. BindingDB_18924.mol2
25. BindingDB_18934.mol2
26. 1NAX.mol2
27. BindingDB_18934.docklog.results_tab.log
28. BindingDB_18920.docklog
29. BindingDB_18926.frags.mol2
30. BindingDB_18926.mol2
31. BindingDB_18934.docklog
32. log-results.mol2
33. BindingDB_18930.docklog.results_tab.log
34. IH5.sdf
35. BindingDB_18937.mol2
36. BindingDB_18869.docklog.results_tab.log
37. BindingDB_18931.frags.mol2
38. BindingDB_18869.mol2
39. BindingDB_18925.docklog.mol2
40. BindingDB_18937.docklog.results_tab.log
41. BindingDB_18920.docklog.mol2
42. BindingDB_50171807.mol2
43. 1NAX-voxthresh-7.pdb
44. BindingDB_18868.docklog
45. BindingDB_18868.docklog.mol2
46. log-results_tab.log
47. BindingDB_18870.mol2
48. 1NAX_sdf-log.txt
49. BindingDB_18870.docklog
50. BindingDB_18920.frags.mol2
51. 1NAX_sdf.mol2
52. 1NAX-results_BindingDB_18930.mol2
53. 1NAX-results_BindingDB_18870.mol2
54. protein_sampling.mol2
55. 1NAX-results_BindingDB_18868.mol2
56. BindingDB_18913.mol2
57. 1NAX_water.mol2
58. BindingDB_18925.docklog.results_tab.log
59. BindingDB_18868.frags.mol2
60. 1NAX-marked-protein.pdb
61. 1NAX.Targets
62. BindingDB_18935.docklog.mol2
63. BindingDB_18931.mol2
64. log
65. BindingDB_18929.docklog.results_tab.log
66. 1NAX-results_BindingDB_18931.mol2
67. BindingDB_18935.mol2
68. ligand_sampling.mol2
69. BindingDB_18870.frags.mol2
70. BindingDB_18913.docklog.results_tab.log
71. 1NAX-marked-vox.pdb
72. 1NAX-results_BindingDB_18937.mol2
73. BindingDB_50171807.frags.mol2
74. 1NAX-results_BindingDB_18913.mol2
75. 1NAX-voxthresh-1.pdb
76. BindingDB_18924.docklog.results_tab.log
77. BindingDB_18920.mol2
78. 1NAX-voxthresh-2.pdb
79. BindingDB_18924.docklog
80. 1NAX-results_BindingDB_18926.mol2
81. BindingDB_18925.docklog
82. BindingDB_18935.docklog
83. scale
84. frag2.mol2
85. BindingDB_18937.docklog.mol2
86. BindingDB_50171807.docklog
87. 1NAX-voxthresh-5.pdb
88. prot.mol2
89. 1NAX-results_tab.log
90. BindingDB_18913.docklog.mol2
91. 1NAX-voxthresh-0.pdb
92. 1NAX-results_BindingDB_18935.mol2
93. BindingDB_18937.frags.mol2
94. BindingDB_18929.frags.mol2
95. BindingDB_18869.docklog
96. BindingDB_18870.docklog.results_tab.log
97. BindingDB_18934.docklog.mol2
98. BindingDB_18924.frags.mol2
99. BindingDB_18868.mol2
100. BindingDB_18925.mol2
101. 1NAX_congener.mol2
102. BindingDB_18929.docklog
103. BindingDB_18930.mol2
104. BindingDB_18935.frags.mol2
105. 1NAX-results_BindingDB_18934.mol2
106. BindingDB_18934.frags.mol2
107. BindingDB_18937.docklog
108. BindingDB_18913.frags.mol2
109. 1NAX_ligand0.mol2
110. BindingDB_18929.docklog.mol2
111. BindingDB_18926.docklog
112. 1NAX.pdb
113. BindingDB_18931.docklog.results_tab.log
114. 1NAX-results.mol2
115. BindingDB_18925.frags.mol2
116. BindingDB_18869.frags.mol2
117. BindingDB_18868.docklog.results_tab.log
118. BindingDB_18931.docklog.mol2
119. 1NAX-results_BindingDB_18929.mol2
120. BindingDB_18926.docklog.mol2
121. BindingDB_18930.docklog.mol2
122. BindingDB_50171807.docklog.results_tab.log
123. frag1.mol2
124. BindingDB_18870.docklog.mol2
125. 1NAX-voxthresh-3.pdb
126. 1NAX-protomol.mol2