Full input and output files for computationally docked structures of congeneric ligands similar to BDBM50066648=INP in crystal structure 1AU4

1. BindingDB_50098584.frags.mol2
2. 1AU4.pdb
3. BindingDB_50066654.docklog.mol2
4. BindingDB_19810.mol2
5. BindingDB_50066654.mol2
6. BindingDB_50066649.docklog.results_tab.log
7. BindingDB_50098575.docklog.mol2
8. BindingDB_50066650.frags.mol2
9. prot-log.txt
10. BindingDB_50066645.frags.mol2
11. BindingDB_50066649.frags.mol2
12. 1AU4_ligand0.mol2
13. BindingDB_19811.docklog.results_tab.log
14. 1AU4.mol2
15. BindingDB_50098582.mol2
16. BindingDB_50066654.docklog
17. 1AU4-results_BindingDB_19810.mol2
18. 1AU4-voxthresh-1.pdb
19. BindingDB_19805.frags.mol2
20. BindingDB_50098579.frags.mol2
21. BindingDB_19810.frags.mol2
22. BindingDB_19808.mol2
23. BindingDB_50098578.docklog.mol2
24. 1AU4-results_tab.log
25. 1AU4-marked-vox.pdb
26. BindingDB_50066648.docklog
27. BindingDB_19811.docklog.mol2
28. BindingDB_50098584.docklog.results_tab.log
29. 1AU4-protomol.mol2
30. 1AU4-voxthresh-10.pdb
31. BindingDB_50098582.docklog.results_tab.log
32. BindingDB_19805.docklog
33. BindingDB_19812.docklog.mol2
34. 1AU4-voxthresh-0.pdb
35. BindingDB_19805.docklog.results_tab.log
36. BindingDB_19809.docklog
37. BindingDB_50066648.docklog.mol2
38. BindingDB_50098575.frags.mol2
39. log-results.mol2
40. 1AU4-voxthresh-2.pdb
41. BindingDB_19809.frags.mol2
42. BindingDB_50066649.docklog
43. BindingDB_19807.mol2
44. bdb_1AU4_INP_3D.sdf
45. BindingDB_50098575.docklog
46. 1AU4_sdf-log.txt
47. BindingDB_19812.frags.mol2
48. BindingDB_19812.docklog.results_tab.log
49. BindingDB_50066648.frags.mol2
50. 1AU4-voxthresh-9.pdb
51. 1AU4.Targets
52. 1AU4-voxthresh-7.pdb
53. BindingDB_19810.docklog.mol2
54. BindingDB_50098582.docklog.mol2
55. BindingDB_50098578.mol2
56. BindingDB_19812.docklog
57. 1AU4-results_BindingDB_19809.mol2
58. log-results_tab.log
59. BindingDB_19805.docklog.mol2
60. BindingDB_19807.docklog.mol2
61. BindingDB_19811.mol2
62. BindingDB_19809.docklog.mol2
63. 1AU4-voxthresh-4.pdb
64. BindingDB_19809.docklog.results_tab.log
65. protein_sampling.mol2
66. BindingDB_50098575.docklog.results_tab.log
67. BindingDB_50098582.frags.mol2
68. 1AU4-results_BindingDB_19808.mol2
69. 1AU4-results_BindingDB_50066648.mol2
70. BindingDB_50066645.docklog.mol2
71. BindingDB_50066645.docklog
72. 1AU4.opt-protein-trim.mol2
73. BindingDB_50098584.mol2
74. BindingDB_50066650.docklog.mol2
75. 1AU4-results_BindingDB_19811.mol2
76. BindingDB_19810.docklog.results_tab.log
77. log
78. ligand_sampling.mol2
79. BindingDB_19811.docklog
80. 1AU4-voxthresh-5.pdb
81. BindingDB_50098584.docklog
82. BindingDB_50066654.frags.mol2
83. 1AU4-voxthresh-8.pdb
84. BindingDB_50066648.docklog.results_tab.log
85. INP.sdf
86. BindingDB_19805.mol2
87. BindingDB_50066650.mol2
88. 1AU4-voxthresh-6.pdb
89. BindingDB_50066649.mol2
90. scale
91. BindingDB_50098575.mol2
92. BindingDB_19807.docklog
93. 1AU4-marked-protein.pdb
94. frag2.mol2
95. BindingDB_19810.docklog
96. prot.mol2
97. 1AU4-results_BindingDB_19805.mol2
98. 1AU4_sdf.mol2
99. BindingDB_50066654.docklog.results_tab.log
100. 1AU4-results_BindingDB_19812.mol2
101. BindingDB_50098582.docklog
102. 1AU4.csv
103. BindingDB_19808.docklog
104. BindingDB_50098578.frags.mol2
105. 1AU4_water.mol2
106. BindingDB_19807.docklog.results_tab.log
107. 1AU4-voxthresh-3.pdb
108. BindingDB_50066649.docklog.mol2
109. 1AU4_congener.mol2
110. BindingDB_50098578.docklog
111. BindingDB_19808.docklog.results_tab.log
112. BindingDB_19812.mol2
113. 1AU4_congener-log.txt
114. BindingDB_50098584.docklog.mol2
115. BindingDB_50098579.mol2
116. BindingDB_19811.frags.mol2
117. BindingDB_50066648.mol2
118. BindingDB_50098579.docklog.mol2
119. BindingDB_19809.mol2
120. BindingDB_50066650.docklog
121. BindingDB_50098579.docklog.results_tab.log
122. bdb_1AU4_INP_sim.txt
123. BindingDB_50066645.docklog.results_tab.log
124. BindingDB_50066650.docklog.results_tab.log
125. BindingDB_19808.docklog.mol2
126. BindingDB_19807.frags.mol2
127. frag1.mol2
128. 1AU4-results.mol2
129. BindingDB_50098579.docklog
130. BindingDB_50066645.mol2
131. BindingDB_50098578.docklog.results_tab.log
132. BindingDB_19808.frags.mol2