Full input and output files for computationally docked structures of congeneric ligands similar to BDBM11460=I17 in crystal structure 1G5S

1. 1G5S-voxthresh-8.pdb
2. 1G5S-results_tab.log
3. prot-log.txt
4. BindingDB_7533.docklog.results_tab.log
5. BindingDB_10634.mol2
6. BindingDB_10640.docklog
7. BindingDB_50261545.docklog.mol2
8. BindingDB_10909.docklog.results_tab.log
9. BindingDB_11461.docklog
10. BindingDB_10638.mol2
11. BindingDB_50261545.docklog.results_tab.log
12. BindingDB_5718.mol2
13. BindingDB_11458.docklog.results_tab.log
14. BindingDB_10634.frags.mol2
15. 1G5S-voxthresh-0.pdb
16. BindingDB_10633.docklog
17. BindingDB_31100.docklog.results_tab.log
18. BindingDB_31100.docklog.mol2
19. 1G5S-voxthresh-4.pdb
20. 1G5S_water.mol2
21. 1G5S-voxthresh-6.pdb
22. BindingDB_10636.frags.mol2
23. 1G5S-voxthresh-9.pdb
24. I17.sdf
25. 1G5S-voxthresh-7.pdb
26. BindingDB_31100.frags.mol2
27. BindingDB_11461.docklog.results_tab.log
28. 1G5S-voxthresh-5.pdb
29. BindingDB_11459.mol2
30. BindingDB_10638.docklog
31. BindingDB_7533.docklog.mol2
32. BindingDB_10634.docklog.mol2
33. BindingDB_10640.frags.mol2
34. log-results.mol2
35. BindingDB_10636.docklog.mol2
36. 1G5S-voxthresh-10.pdb
37. BindingDB_10636.mol2
38. BindingDB_5718.docklog
39. bdb_1G5S_I17_sim.txt
40. BindingDB_11460.mol2
41. BindingDB_10634.docklog.results_tab.log
42. BindingDB_11460.docklog.mol2
43. 1G5S.csv
44. 1G5S_congener-log.txt
45. bdb_1G5S_I17_3D.sdf
46. BindingDB_11460.frags.mol2
47. BindingDB_11460.docklog.results_tab.log
48. BindingDB_11459.docklog.mol2
49. BindingDB_10634.docklog
50. BindingDB_10638.docklog.mol2
51. log-results_tab.log
52. BindingDB_11459.docklog
53. BindingDB_11461.mol2
54. BindingDB_10909.mol2
55. BindingDB_10633.docklog.mol2
56. BindingDB_50120508.docklog
57. BindingDB_10640.docklog.results_tab.log
58. 1G5S_sdf.mol2
59. BindingDB_7533.frags.mol2
60. BindingDB_7533.mol2
61. 1G5S-marked-protein.pdb
62. log
63. BindingDB_5718.docklog.mol2
64. 1G5S-results_BindingDB_5718.mol2
65. BindingDB_50261545.docklog
66. BindingDB_10909.frags.mol2
67. BindingDB_50261545.mol2
68. BindingDB_10636.docklog.results_tab.log
69. BindingDB_50120508.frags.mol2
70. 1G5S-results.mol2
71. BindingDB_10636.docklog
72. BindingDB_11458.frags.mol2
73. 1G5S-results_BindingDB_11460.mol2
74. BindingDB_11460.docklog
75. BindingDB_10909.docklog
76. BindingDB_10633.mol2
77. BindingDB_11458.mol2
78. scale
79. BindingDB_10633.docklog.results_tab.log
80. 1G5S.Targets
81. frag2.mol2
82. prot.mol2
83. BindingDB_10638.docklog.results_tab.log
84. BindingDB_11458.docklog
85. BindingDB_50120508.docklog.mol2
86. 1G5S_ligand0.mol2
87. 1G5S-voxthresh-2.pdb
88. BindingDB_11461.frags.mol2
89. BindingDB_10640.docklog.mol2
90. BindingDB_7533.docklog
91. 1G5S-voxthresh-1.pdb
92. BindingDB_11461.docklog.mol2
93. 1G5S_sdf-log.txt
94. BindingDB_10638.frags.mol2
95. BindingDB_11458.docklog.mol2
96. 1G5S.opt-protein-trim.mol2
97. BindingDB_11459.frags.mol2
98. 1G5S.mol2
99. BindingDB_10640.mol2
100. 1G5S-voxthresh-3.pdb
101. BindingDB_10909.docklog.mol2
102. BindingDB_50120508.mol2
103. 1G5S.pdb
104. BindingDB_31100.docklog
105. BindingDB_50261545.frags.mol2
106. BindingDB_5718.frags.mol2
107. 1G5S-protomol.mol2
108. 1G5S-marked-vox.pdb
109. 1G5S_congener.mol2
110. BindingDB_5718.docklog.results_tab.log
111. frag1.mol2
112. BindingDB_11459.docklog.results_tab.log
113. BindingDB_31100.mol2
114. BindingDB_50120508.docklog.results_tab.log
115. BindingDB_10633.frags.mol2