Full input and output files for computationally docked structures of congeneric ligands similar to BDBM36516=746 in crystal structure 3OCS

1. BindingDB_36520.docklog.results_tab.log
2. 3OCS.csv
3. BindingDB_36521.mol2
4. BindingDB_36520.docklog.mol2
5. 3OCS-voxthresh-6.pdb
6. 3OCS-voxthresh-9.pdb
7. prot-log.txt
8. 3OCS-results_BindingDB_50388182.mol2
9. BindingDB_36517.docklog
10. 3OCS-results_BindingDB_36518.mol2
11. 3OCS-voxthresh-0.pdb
12. BindingDB_50388184.docklog.results_tab.log
13. BindingDB_50388187.frags.mol2
14. 3OCS-voxthresh-3.pdb
15. BindingDB_36516.mol2
16. 3OCS-results_BindingDB_50388184.mol2
17. 3OCS-results_BindingDB_36520.mol2
18. BindingDB_36521.frags.mol2
19. BindingDB_36518.docklog.results_tab.log
20. BindingDB_36521.docklog.mol2
21. BindingDB_50388188.docklog.results_tab.log
22. 3OCS-voxthresh-5.pdb
23. BindingDB_36519.docklog
24. BindingDB_36518.docklog
25. BindingDB_36519.docklog.results_tab.log
26. BindingDB_50388183.frags.mol2
27. BindingDB_50388187.docklog
28. 3OCS_ligand1.mol2
29. 3OCS-results_BindingDB_50341519.mol2
30. 3OCS.Targets
31. log-results.mol2
32. BindingDB_50388188.mol2
33. BindingDB_36518.mol2
34. BindingDB_36517.docklog.mol2
35. BindingDB_50388187.docklog.mol2
36. BindingDB_36521.docklog.results_tab.log
37. 3OCS_ligand0.mol2
38. 746.sdf
39. BindingDB_50388182.docklog.mol2
40. 3OCS-protomol.mol2
41. BindingDB_36516.frags.mol2
42. 3OCS_congener-log.txt
43. log-results_tab.log
44. 3OCS-results_BindingDB_50388183.mol2
45. BindingDB_36518.docklog.mol2
46. protein_sampling.mol2
47. BindingDB_50388184.frags.mol2
48. BindingDB_50341519.mol2
49. BindingDB_50388182.mol2
50. BindingDB_36520.frags.mol2
51. BindingDB_36517.docklog.results_tab.log
52. BindingDB_50388188.docklog.mol2
53. BindingDB_36519.frags.mol2
54. BindingDB_50388182.docklog
55. 3OCS-results_BindingDB_36516.mol2
56. BindingDB_50388183.docklog
57. BindingDB_36520.mol2
58. log
59. BindingDB_50388182.frags.mol2
60. BindingDB_50388183.docklog.mol2
61. 3OCS_ligand3.mol2
62. BindingDB_50388188.docklog
63. ligand_sampling.mol2
64. BindingDB_50388187.mol2
65. bdb_3OCS_746_sim.txt
66. BindingDB_50388182.docklog.results_tab.log
67. BindingDB_36516.docklog
68. 3OCS_ligand2.mol2
69. 3OCS-results_BindingDB_50388187.mol2
70. 3OCS-results_BindingDB_36521.mol2
71. 3OCS-results_BindingDB_36519.mol2
72. 3OCS-results_BindingDB_36517.mol2
73. BindingDB_50341519.docklog.mol2
74. 3OCS_congener.mol2
75. BindingDB_36520.docklog
76. scale
77. BindingDB_50388184.docklog
78. frag2.mol2
79. BindingDB_36517.frags.mol2
80. 3OCS-marked-protein.pdb
81. prot.mol2
82. BindingDB_50388183.mol2
83. BindingDB_36521.docklog
84. BindingDB_36518.frags.mol2
85. 3OCS-marked-vox.pdb
86. 3OCS.opt-protein-trim.mol2
87. 3OCS_ligand4.mol2
88. 3OCS.pdb
89. BindingDB_50341519.docklog
90. bdb_3OCS_746_3D.sdf
91. 3OCS.mol2
92. 3OCS-voxthresh-1.pdb
93. BindingDB_36519.mol2
94. 3OCS-voxthresh-8.pdb
95. BindingDB_50388188.frags.mol2
96. 3OCS-voxthresh-7.pdb
97. 3OCS-results_tab.log
98. 3OCS-voxthresh-4.pdb
99. 3OCS_sdf.mol2
100. BindingDB_50341519.frags.mol2
101. BindingDB_36516.docklog.results_tab.log
102. BindingDB_50388187.docklog.results_tab.log
103. 3OCS_sdf-log.txt
104. 3OCS-voxthresh-2.pdb
105. BindingDB_50388184.mol2
106. BindingDB_36519.docklog.mol2
107. BindingDB_50341519.docklog.results_tab.log
108. 3OCS-results.mol2
109. BindingDB_36517.mol2
110. BindingDB_50388184.docklog.mol2
111. BindingDB_50388183.docklog.results_tab.log
112. BindingDB_36516.docklog.mol2
113. frag1.mol2
114. 3OCS_water.mol2