Full input and output files for computationally docked structures of congeneric ligands similar to BDBM50380148=E90 in crystal structure 3SBI

1. 3SBI-voxthresh-8.pdb
2. 3SBI-marked-protein.pdb
3. BindingDB_50380140.docklog
4. 3SBI-marked-vox.pdb
5. BindingDB_50380140.mol2
6. 3SBI-protomol.mol2
7. BindingDB_50380142.docklog
8. 3SBI-results.mol2
9. BindingDB_50380142.mol2
10. BindingDB_50380143.docklog
11. BindingDB_50380143.mol2
12. BindingDB_50380144.docklog
13. BindingDB_50380144.mol2
14. BindingDB_50380145.docklog
15. BindingDB_50380145.mol2
16. BindingDB_50380147.docklog
17. BindingDB_50380147.mol2
18. BindingDB_50380148.docklog
19. 3SBI-voxthresh-9.pdb
20. 3SBI.Targets
21. E90.sdf
22. 3SBI.csv
23. frag1.mol2
24. 3SBI.mol2
25. frag2.mol2
26. 3SBI.opt-protein-trim.mol2
27. 3SBI.pdb
28. prot.mol2
29. 3SBI_congener-log.txt
30. 3SBI_congener.mol2
31. 3SBI_ligand0.mol2
32. 3SBI_ligand1.mol2
33. 3SBI_ligand2.mol2
34. 3SBI_ligand3.mol2
35. 3SBI_sdf-log.txt
36. 3SBI_sdf.mol2
37. 3SBI_water.mol2
38. BindingDB_50380148.mol2
39. BindingDB_50380149.docklog
40. BindingDB_50380149.mol2
41. BindingDB_50380150.docklog
42. 3SBI-results_BindingDB_50380152.mol2
43. 3SBI-results_BindingDB_50380140.mol2
44. 3SBI-results_BindingDB_50380154.mol2
45. 3SBI-results_BindingDB_50380142.mol2
46. 3SBI-results_BindingDB_50380153.mol2
47. 3SBI-results_BindingDB_50380143.mol2
48. 3SBI-results_BindingDB_50380156.mol2
49. 3SBI-results_BindingDB_50380145.mol2
50. 3SBI-results_tab.log
51. log
52. 3SBI-results_BindingDB_50380147.mol2
53. 3SBI-voxthresh-0.pdb
54. prot-log.txt
55. 3SBI-results_BindingDB_50380148.mol2
56. BindingDB_50380140.docklog.results_tab.log
57. 3SBI-results_BindingDB_50380149.mol2
58. 3SBI-voxthresh-1.pdb
59. scale
60. 3SBI-results_BindingDB_50380150.mol2
61. 3SBI-voxthresh-10.pdb
62. 3SBI-results_BindingDB_50380151.mol2
63. 3SBI-voxthresh-2.pdb
64. BindingDB_50380150.mol2
65. 3SBI-voxthresh-3.pdb
66. BindingDB_50380151.docklog
67. 3SBI-voxthresh-4.pdb
68. BindingDB_50380151.mol2
69. 3SBI-voxthresh-5.pdb
70. BindingDB_50380152.docklog
71. 3SBI-voxthresh-6.pdb
72. BindingDB_50380152.mol2
73. 3SBI-voxthresh-7.pdb
74. BindingDB_50380153.docklog
75. BindingDB_50380140.docklog.mol2
76. BindingDB_50380157.docklog.results_tab.log
77. BindingDB_50380140.frags.mol2
78. BindingDB_50380157.frags.mol2
79. BindingDB_50380142.docklog.mol2
80. BindingDB_50380154.docklog.mol2
81. BindingDB_50380142.docklog.results_tab.log
82. BindingDB_50380157.mol2
83. BindingDB_50380142.frags.mol2
84. bdb_3SBI_E90_3D.sdf
85. BindingDB_50380143.docklog.mol2
86. BindingDB_50380154.docklog.results_tab.log
87. BindingDB_50380143.docklog.results_tab.log
88. bdb_3SBI_E90_sim.txt
89. BindingDB_50380143.frags.mol2
90. ligand_sampling.mol2
91. BindingDB_50380144.docklog.mol2
92. BindingDB_50380154.frags.mol2
93. BindingDB_50380144.docklog.results_tab.log
94. log-results.mol2
95. BindingDB_50380144.frags.mol2
96. log-results_tab.log
97. BindingDB_50380145.docklog.mol2
98. BindingDB_50380154.mol2
99. BindingDB_50380145.docklog.results_tab.log
100. protein_sampling.mol2
101. BindingDB_50380145.frags.mol2
102. BindingDB_50380147.docklog.mol2
103. BindingDB_50380156.docklog
104. BindingDB_50380147.docklog.results_tab.log
105. BindingDB_50380147.frags.mol2
106. BindingDB_50380148.docklog.mol2
107. BindingDB_50380156.docklog.mol2
108. BindingDB_50380148.docklog.results_tab.log
109. BindingDB_50380148.frags.mol2
110. BindingDB_50380149.docklog.mol2
111. BindingDB_50380156.docklog.results_tab.log
112. BindingDB_50380149.docklog.results_tab.log
113. BindingDB_50380149.frags.mol2
114. BindingDB_50380150.docklog.mol2
115. BindingDB_50380156.frags.mol2
116. BindingDB_50380150.docklog.results_tab.log
117. BindingDB_50380150.frags.mol2
118. BindingDB_50380151.docklog.mol2
119. BindingDB_50380156.mol2
120. BindingDB_50380151.docklog.results_tab.log
121. BindingDB_50380151.frags.mol2
122. BindingDB_50380152.docklog.mol2
123. BindingDB_50380157.docklog
124. BindingDB_50380152.docklog.results_tab.log
125. BindingDB_50380152.frags.mol2
126. BindingDB_50380153.docklog.mol2
127. BindingDB_50380157.docklog.mol2
128. BindingDB_50380153.docklog.results_tab.log
129. BindingDB_50380153.frags.mol2
130. BindingDB_50380153.mol2
131. BindingDB_50380154.docklog