Full input and output files for computationally docked structures of congeneric ligands similar to BDBM50186231=EAA in crystal structure 11GS

1. BindingDB_50300262.docklog.results_tab.log
2. BindingDB_50186224.docklog
3. BindingDB_50186231.docklog
4. BindingDB_50300266.docklog
5. BindingDB_50186230.docklog.results_tab.log
6. prot-log.txt
7. 11GS-voxthresh-8.pdb
8. 11GS-voxthresh-9.pdb
9. BindingDB_50186223.mol2
10. BindingDB_50186230.docklog
11. BindingDB_50300266.docklog.mol2
12. BindingDB_50186226.docklog.results_tab.log
13. EAA.sdf
14. BindingDB_50186225.docklog.results_tab.log
15. 11GS-protomol.mol2
16. BindingDB_50186227.mol2
17. BindingDB_50300264.frags.mol2
18. BindingDB_50300263.docklog.mol2
19. 11GS-results_tab.log
20. BindingDB_50300262.frags.mol2
21. BindingDB_50186225.frags.mol2
22. 11GS_ligand1.mol2
23. BindingDB_50186230.mol2
24. BindingDB_50300261.docklog.results_tab.log
25. BindingDB_50186223.docklog.results_tab.log
26. BindingDB_50186228.docklog.mol2
27. 11GS-results_BindingDB_50300262.mol2
28. 11GS.pdb
29. BindingDB_50300265.docklog.mol2
30. BindingDB_50186229.frags.mol2
31. 11GS-marked-protein.pdb
32. 11GS-marked-vox.pdb
33. 11GS.csv
34. BindingDB_50186229.docklog.mol2
35. BindingDB_50186230.docklog.mol2
36. BindingDB_50186231.frags.mol2
37. 11GS_sdf.mol2
38. BindingDB_50300264.docklog.results_tab.log
39. 11GS.mol2
40. 11GS-voxthresh-7.pdb
41. log-results.mol2
42. 11GS-voxthresh-1.pdb
43. BindingDB_50186225.mol2
44. BindingDB_50300262.docklog.mol2
45. 11GS-results_BindingDB_50300261.mol2
46. BindingDB_50186227.docklog
47. BindingDB_50186227.docklog.results_tab.log
48. BindingDB_50186228.mol2
49. 11GS-results_BindingDB_50186228.mol2
50. 11GS_sdf-log.txt
51. BindingDB_50186231.docklog.results_tab.log
52. 11GS-results_BindingDB_50186231.mol2
53. BindingDB_50300264.mol2
54. 11GS_ligand4.mol2
55. 11GS-voxthresh-0.pdb
56. bdb_11GS_EAA_3D.sdf
57. BindingDB_50300261.docklog.mol2
58. BindingDB_50186230.frags.mol2
59. log-results_tab.log
60. 11GS-voxthresh-4.pdb
61. 11GS_ligand5.mol2
62. BindingDB_50186228.docklog
63. BindingDB_50300263.mol2
64. BindingDB_50300261.mol2
65. 11GS_ligand3.mol2
66. BindingDB_50300261.docklog
67. BindingDB_50186226.docklog
68. protein_sampling.mol2
69. 11GS-voxthresh-3.pdb
70. BindingDB_50300264.docklog
71. 11GS-results_BindingDB_50300263.mol2
72. BindingDB_50300264.docklog.mol2
73. BindingDB_50300266.mol2
74. 11GS-voxthresh-5.pdb
75. BindingDB_50300265.frags.mol2
76. 11GS-results_BindingDB_50186226.mol2
77. BindingDB_50186227.docklog.mol2
78. BindingDB_50186225.docklog.mol2
79. BindingDB_50186229.docklog.results_tab.log
80. log
81. 11GS.opt-protein-trim.mol2
82. 11GS-results_BindingDB_50300264.mol2
83. bdb_11GS_EAA_sim.txt
84. 11GS_congener.mol2
85. BindingDB_50186225.docklog
86. 11GS-results.mol2
87. 11GS-voxthresh-6.pdb
88. BindingDB_50300263.docklog.results_tab.log
89. BindingDB_50300261.frags.mol2
90. BindingDB_50186226.docklog.mol2
91. scale
92. 11GS_water.mol2
93. frag2.mol2
94. prot.mol2
95. 11GS-voxthresh-2.pdb
96. BindingDB_50186228.frags.mol2
97. 11GS-results_BindingDB_50300265.mol2
98. BindingDB_50300265.docklog
99. BindingDB_50300263.frags.mol2
100. 11GS_ligand0.mol2
101. BindingDB_50186223.frags.mol2
102. BindingDB_50186231.docklog.mol2
103. BindingDB_50186224.frags.mol2
104. BindingDB_50186226.frags.mol2
105. 11GS.Targets
106. 11GS_ligand2.mol2
107. BindingDB_50186228.docklog.results_tab.log
108. UnDockable.list
109. BindingDB_50300262.docklog
110. BindingDB_50300266.frags.mol2
111. BindingDB_50186227.frags.mol2
112. BindingDB_50300265.docklog.results_tab.log
113. BindingDB_50300265.mol2
114. BindingDB_50186231.mol2
115. BindingDB_50186229.mol2
116. BindingDB_50186229.docklog
117. BindingDB_50186226.mol2
118. BindingDB_50186223.docklog
119. BindingDB_50300263.docklog
120. BindingDB_50300262.mol2
121. BindingDB_50300266.docklog.results_tab.log
122. frag1.mol2
123. BindingDB_50186223.docklog.mol2
124. 11GS-results_BindingDB_50186229.mol2
125. BindingDB_50186224.mol2
126. 11GS_congener-log.txt