Full input and output files for computationally docked structures of congeneric ligands similar to BDBM50278699=AZM in crystal structure 4G0C

1. prot-log.txt
2. BindingDB_50080659.docklog.mol2
3. BindingDB_50292052.frags.mol2
4. BindingDB_50157950.docklog
5. BindingDB_50080724.docklog
6. 4G0C-voxthresh-0.pdb
7. BindingDB_11048.docklog
8. BindingDB_50292032.docklog.mol2
9. BindingDB_50080730.docklog
10. BindingDB_50292032.docklog.results_tab.log
11. 4G0C-voxthresh-7.pdb
12. 4G0C.pdb
13. BindingDB_50292052.docklog.mol2
14. BindingDB_50157950.docklog.results_tab.log
15. 4G0C-voxthresh-1.pdb
16. bdb_4G0C_AZM_3D.sdf
17. BindingDB_50080659.frags.mol2
18. 4G0C_ligand0.mol2
19. BindingDB_10880.docklog
20. BindingDB_10880.docklog.results_tab.log
21. 4G0C-results_BindingDB_10880.mol2
22. bdb_4G0C_AZM_sim.txt
23. BindingDB_11048.frags.mol2
24. 4G0C-voxthresh-2.pdb
25. BindingDB_50157950.mol2
26. BindingDB_50080707.docklog.mol2
27. 4G0C.Targets
28. log-results.mol2
29. BindingDB_50080707.mol2
30. BindingDB_50108579.frags.mol2
31. 4G0C_sdf.mol2
32. BindingDB_10880.docklog.mol2
33. BindingDB_50080707.docklog.results_tab.log
34. BindingDB_50108579.docklog.mol2
35. BindingDB_50080730.frags.mol2
36. BindingDB_50292052.mol2
37. BindingDB_50080659.docklog
38. 4G0C-results_tab.log
39. 4G0C-voxthresh-4.pdb
40. BindingDB_50292032.mol2
41. BindingDB_50080730.docklog.mol2
42. 4G0C-marked-vox.pdb
43. log-results_tab.log
44. BindingDB_50292052.docklog.results_tab.log
45. 4G0C-voxthresh-5.pdb
46. 4G0C-results_BindingDB_11048.mol2
47. 4G0C-voxthresh-6.pdb
48. 4G0C-protomol.mol2
49. BindingDB_50080730.mol2
50. protein_sampling.mol2
51. BindingDB_50080724.docklog.mol2
52. BindingDB_11048.docklog.results_tab.log
53. 4G0C-results.mol2
54. BindingDB_50079068.frags.mol2
55. log
56. BindingDB_50080724.mol2
57. BindingDB_50079068.docklog.results_tab.log
58. ligand_sampling.mol2
59. BindingDB_50108579.mol2
60. 4G0C-voxthresh-9.pdb
61. BindingDB_10880.frags.mol2
62. BindingDB_50080707.frags.mol2
63. 4G0C_congener-log.txt
64. 4G0C_sdf-log.txt
65. BindingDB_50080724.docklog.results_tab.log
66. scale
67. frag2.mol2
68. 4G0C_congener.mol2
69. BindingDB_50079068.docklog.mol2
70. BindingDB_50108579.docklog
71. prot.mol2
72. 4G0C.csv
73. BindingDB_11048.mol2
74. 4G0C-voxthresh-3.pdb
75. BindingDB_50292052.docklog
76. BindingDB_50080659.docklog.results_tab.log
77. BindingDB_50157950.frags.mol2
78. BindingDB_50108579.docklog.results_tab.log
79. BindingDB_50292032.docklog
80. BindingDB_50292032.frags.mol2
81. BindingDB_11048.docklog.mol2
82. 4G0C.opt-protein-trim.mol2
83. BindingDB_50080724.frags.mol2
84. BindingDB_50079068.docklog
85. BindingDB_50157950.docklog.mol2
86. BindingDB_50080730.docklog.results_tab.log
87. 4G0C-voxthresh-10.pdb
88. AZM.sdf
89. BindingDB_10880.mol2
90. BindingDB_50079068.mol2
91. 4G0C.mol2
92. frag1.mol2
93. 4G0C-voxthresh-8.pdb
94. BindingDB_50080659.mol2
95. BindingDB_50080707.docklog
96. 4G0C-marked-protein.pdb