Full input and output files for computationally docked structures of congeneric ligands similar to BDBM12014=FSB in crystal structure 1G45

1. 1G45-marked-protein.pdb
2. BindingDB_12020.mol2
3. BindingDB_12015.frags.mol2
4. 1G45-results_BindingDB_12015.mol2
5. prot-log.txt
6. BindingDB_12018.frags.mol2
7. BindingDB_12015.docklog
8. BindingDB_12014.mol2
9. 1G45_sdf-log.txt
10. BindingDB_12018.docklog.mol2
11. BindingDB_12013.docklog.results_tab.log
12. BindingDB_12016.docklog.mol2
13. BindingDB_12017.docklog.mol2
14. 1G45-voxthresh-5.pdb
15. BindingDB_12017.docklog
16. 1G45.pdb
17. BindingDB_12018.mol2
18. 1G45_congener-log.txt
19. 1G45-results_BindingDB_12014.mol2
20. 1G45_water.mol2
21. BindingDB_12014.docklog.mol2
22. BindingDB_12019.docklog
23. 1G45-results_BindingDB_12016.mol2
24. log-results.mol2
25. BindingDB_12019.docklog.results_tab.log
26. BindingDB_12016.docklog
27. BindingDB_12023.mol2
28. 1G45-protomol.mol2
29. BindingDB_12021.docklog.results_tab.log
30. BindingDB_12014.docklog
31. BindingDB_12019.docklog.mol2
32. BindingDB_12020.docklog.results_tab.log
33. 1G45-voxthresh-7.pdb
34. 1G45-results_tab.log
35. 1G45-voxthresh-2.pdb
36. BindingDB_12023.frags.mol2
37. log-results_tab.log
38. BindingDB_12021.docklog.mol2
39. bdb_1G45_FSB_3D.sdf
40. BindingDB_12020.frags.mol2
41. BindingDB_12018.docklog.results_tab.log
42. protein_sampling.mol2
43. BindingDB_12013.docklog.mol2
44. BindingDB_12018.docklog
45. 1G45-results_BindingDB_12022.mol2
46. 1G45-results.mol2
47. 1G45-results_BindingDB_12013.mol2
48. log
49. 1G45-marked-vox.pdb
50. 1G45-results_BindingDB_12020.mol2
51. ligand_sampling.mol2
52. 1G45-voxthresh-6.pdb
53. BindingDB_12019.frags.mol2
54. BindingDB_12022.docklog.mol2
55. BindingDB_12015.mol2
56. BindingDB_12021.docklog
57. BindingDB_12017.docklog.results_tab.log
58. BindingDB_12019.mol2
59. 1G45-voxthresh-10.pdb
60. BindingDB_12021.mol2
61. BindingDB_12022.docklog.results_tab.log
62. BindingDB_12016.mol2
63. 1G45_sdf.mol2
64. FSB.sdf
65. BindingDB_12014.frags.mol2
66. scale
67. BindingDB_12013.docklog
68. 1G45_congener.mol2
69. BindingDB_12016.docklog.results_tab.log
70. frag2.mol2
71. BindingDB_12020.docklog.mol2
72. BindingDB_12021.frags.mol2
73. prot.mol2
74. BindingDB_12014.docklog.results_tab.log
75. 1G45-voxthresh-8.pdb
76. BindingDB_12013.frags.mol2
77. bdb_1G45_FSB_sim.txt
78. 1G45-results_BindingDB_12019.mol2
79. 1G45-voxthresh-3.pdb
80. BindingDB_12023.docklog
81. 1G45.mol2
82. UnDockable.list
83. BindingDB_12017.frags.mol2
84. 1G45-results_BindingDB_12021.mol2
85. 1G45-voxthresh-0.pdb
86. BindingDB_12022.mol2
87. BindingDB_12013.mol2
88. 1G45.Targets
89. BindingDB_12023.docklog.mol2
90. 1G45-voxthresh-4.pdb
91. BindingDB_12022.frags.mol2
92. BindingDB_12017.mol2
93. BindingDB_12016.frags.mol2
94. 1G45-voxthresh-9.pdb
95. BindingDB_12022.docklog
96. BindingDB_12015.docklog.mol2
97. 1G45.opt-protein-trim.mol2
98. BindingDB_12023.docklog.results_tab.log
99. 1G45_ligand0.mol2
100. BindingDB_12020.docklog
101. frag1.mol2
102. BindingDB_12015.docklog.results_tab.log
103. 1G45.csv
104. 1G45-voxthresh-1.pdb