Full input and output files for computationally docked structures of congeneric ligands similar to BDBM50306557=9GP in crystal structure 3G2J

1. 3G2J-voxthresh-9.pdb
2. BindingDB_50295842.docklog
3. BindingDB_50306556.docklog
4. BindingDB_50263722.docklog
5. BindingDB_50306556.docklog.results_tab.log
6. prot-log.txt
7. bdb_3G2J_9GP_3D.sdf
8. BindingDB_50306561.mol2
9. 3G2J_ligand0.mol2
10. BindingDB_50240802.docklog.mol2
11. 3G2J-voxthresh-1.pdb
12. BindingDB_50240802.docklog
13. 3G2J-voxthresh-3.pdb
14. 3G2J.Targets
15. BindingDB_50306557.docklog
16. 3G2J-voxthresh-5.pdb
17. 3G2J-voxthresh-7.pdb
18. 3G2J-results_BindingDB_50306556.mol2
19. 3G2J-marked-vox.pdb
20. 3G2J-results.mol2
21. BindingDB_50240801.mol2
22. 3G2J-results_BindingDB_50306561.mol2
23. 3G2J-protomol.mol2
24. 3G2J-voxthresh-6.pdb
25. log-results.mol2
26. 3G2J-results_BindingDB_50263722.mol2
27. BindingDB_50306556.docklog.mol2
28. bdb_3G2J_9GP_sim.txt
29. BindingDB_50263770.frags.mol2
30. 3G2J-results_BindingDB_50295842.mol2
31. BindingDB_50240802.docklog.results_tab.log
32. 3G2J.mol2
33. BindingDB_50240801.docklog.results_tab.log
34. BindingDB_50306561.docklog
35. 3G2J-results_BindingDB_50263770.mol2
36. 3G2J_congener.mol2
37. BindingDB_50306563.frags.mol2
38. 3G2J.csv
39. log-results_tab.log
40. 3G2J-voxthresh-8.pdb
41. BindingDB_50306563.mol2
42. 3G2J-results_tab.log
43. BindingDB_50263770.docklog
44. protein_sampling.mol2
45. BindingDB_50306557.docklog.results_tab.log
46. 3G2J-results_BindingDB_50240802.mol2
47. BindingDB_50263770.mol2
48. log
49. 3G2J-voxthresh-2.pdb
50. BindingDB_50263722.mol2
51. BindingDB_50306557.mol2
52. BindingDB_50240802.mol2
53. ligand_sampling.mol2
54. BindingDB_50263723.docklog.mol2
55. 3G2J_congener-log.txt
56. 3G2J_ligand1.mol2
57. BindingDB_50295842.mol2
58. BindingDB_50263722.frags.mol2
59. BindingDB_50306556.frags.mol2
60. 9GP.sdf
61. BindingDB_50306557.frags.mol2
62. scale
63. BindingDB_50263723.frags.mol2
64. 3G2J-voxthresh-0.pdb
65. frag2.mol2
66. BindingDB_50263770.docklog.mol2
67. prot.mol2
68. BindingDB_50295842.docklog.results_tab.log
69. 3G2J.opt-protein-trim.mol2
70. 3G2J-marked-protein.pdb
71. 3G2J-results_BindingDB_50240801.mol2
72. BindingDB_50240801.docklog
73. BindingDB_50263770.docklog.results_tab.log
74. BindingDB_50306556.mol2
75. BindingDB_50263723.docklog
76. BindingDB_50306563.docklog
77. BindingDB_50306561.frags.mol2
78. BindingDB_50263722.docklog.mol2
79. BindingDB_50263723.mol2
80. BindingDB_50306557.docklog.mol2
81. 3G2J_water.mol2
82. 3G2J-voxthresh-4.pdb
83. 3G2J_sdf.mol2
84. BindingDB_50306561.docklog.mol2
85. BindingDB_50240801.docklog.mol2
86. BindingDB_50240802.frags.mol2
87. 3G2J.pdb
88. 3G2J_sdf-log.txt
89. BindingDB_50263723.docklog.results_tab.log
90. BindingDB_50306563.docklog.mol2
91. BindingDB_50240801.frags.mol2
92. 3G2J-results_BindingDB_50263723.mol2
93. BindingDB_50306563.docklog.results_tab.log
94. 3G2J-results_BindingDB_50306557.mol2
95. BindingDB_50295842.docklog.mol2
96. frag1.mol2
97. BindingDB_50263722.docklog.results_tab.log
98. BindingDB_50295842.frags.mol2
99. BindingDB_50306561.docklog.results_tab.log