Full input and output files for computationally docked structures of congeneric ligands similar to BDBM14014=U66 in crystal structure 1LD7

1. BindingDB_14009.docklog.results_tab.log
2. BindingDB_14012.mol2
3. 1LD7-voxthresh-5.pdb
4. BindingDB_14015.docklog
5. 1LD7-voxthresh-0.pdb
6. prot-log.txt
7. 1LD7.Targets
8. BindingDB_14016.docklog
9. BindingDB_50112387.docklog
10. 1LD7.pdb
11. BindingDB_14011.mol2
12. BindingDB_50112387.docklog.mol2
13. BindingDB_50101908.docklog
14. 1LD7_congener-log.txt
15. BindingDB_50101928.docklog.mol2
16. 1LD7.mol2
17. BindingDB_50112388.frags.mol2
18. 1LD7-marked-protein.pdb
19. BindingDB_50112388.docklog.mol2
20. 1LD7_water.mol2
21. BindingDB_14013.mol2
22. 1LD7-marked-vox.pdb
23. BindingDB_14012.frags.mol2
24. BindingDB_14010.docklog.mol2
25. BindingDB_50101908.mol2
26. 1LD7-voxthresh-1.pdb
27. BindingDB_14015.docklog.mol2
28. BindingDB_50101915.frags.mol2
29. BindingDB_14014.frags.mol2
30. BindingDB_14014.docklog
31. BindingDB_50101915.docklog.mol2
32. BindingDB_50101928.frags.mol2
33. 1LD7-voxthresh-8.pdb
34. BindingDB_14011.docklog
35. 1LD7-voxthresh-10.pdb
36. log-results.mol2
37. 1LD7-voxthresh-6.pdb
38. BindingDB_14009.mol2
39. bdb_1LD7_U66_3D.sdf
40. 1LD7-voxthresh-9.pdb
41. BindingDB_50101908.frags.mol2
42. 1LD7-protomol.mol2
43. BindingDB_50112388.mol2
44. BindingDB_14013.docklog.results_tab.log
45. BindingDB_14012.docklog.results_tab.log
46. 1LD7_ligand1.mol2
47. BindingDB_14011.docklog.results_tab.log
48. BindingDB_50101908.docklog.mol2
49. BindingDB_50101928.docklog.results_tab.log
50. bdb_1LD7_U66_sim.txt
51. 1LD7-voxthresh-2.pdb
52. BindingDB_14014.mol2
53. BindingDB_14010.mol2
54. BindingDB_50101908.docklog.results_tab.log
55. log-results_tab.log
56. 1LD7.csv
57. BindingDB_14016.frags.mol2
58. 1LD7-results_BindingDB_14013.mol2
59. 1LD7_sdf-log.txt
60. 1LD7-results_BindingDB_14015.mol2
61. BindingDB_14016.mol2
62. BindingDB_14017.docklog.mol2
63. 1LD7-results.mol2
64. protein_sampling.mol2
65. 1LD7_sdf.mol2
66. 1LD7-results_tab.log
67. 1LD7.opt-protein-trim.mol2
68. BindingDB_14013.docklog
69. BindingDB_14012.docklog
70. BindingDB_14010.frags.mol2
71. log
72. BindingDB_14012.docklog.mol2
73. BindingDB_50101915.docklog.results_tab.log
74. 1LD7_congener.mol2
75. BindingDB_14011.docklog.mol2
76. 1LD7_ligand0.mol2
77. BindingDB_14014.docklog.mol2
78. BindingDB_50101928.docklog
79. BindingDB_14017.docklog
80. 1LD7_ligand2.mol2
81. BindingDB_50112388.docklog
82. BindingDB_14010.docklog
83. scale
84. BindingDB_50101928.mol2
85. frag2.mol2
86. 1LD7-results_BindingDB_14016.mol2
87. BindingDB_14017.docklog.results_tab.log
88. prot.mol2
89. 1LD7-results_BindingDB_14011.mol2
90. BindingDB_14009.docklog.mol2
91. BindingDB_50112387.docklog.results_tab.log
92. BindingDB_50101915.mol2
93. BindingDB_14009.frags.mol2
94. UnDockable.list
95. 1LD7-voxthresh-4.pdb
96. BindingDB_14016.docklog.results_tab.log
97. BindingDB_14010.docklog.results_tab.log
98. U66.sdf
99. BindingDB_14013.frags.mol2
100. BindingDB_14011.frags.mol2
101. BindingDB_14016.docklog.mol2
102. 1LD7-voxthresh-3.pdb
103. BindingDB_14013.docklog.mol2
104. BindingDB_50112387.frags.mol2
105. BindingDB_50101915.docklog
106. BindingDB_14017.mol2
107. BindingDB_50112388.docklog.results_tab.log
108. BindingDB_14015.frags.mol2
109. 1LD7-voxthresh-7.pdb
110. BindingDB_14017.frags.mol2
111. BindingDB_14015.docklog.results_tab.log
112. frag1.mol2
113. BindingDB_14015.mol2
114. BindingDB_14009.docklog
115. BindingDB_14014.docklog.results_tab.log
116. BindingDB_50112387.mol2