Full input and output files for computationally docked structures of congeneric ligands similar to BDBM14061=LY1 in crystal structure 1N7I

1. 1N7I-results_BindingDB_50028905.mol2
2. BindingDB_50028914.docklog
3. bdb_1N7I_LY1_3D.sdf
4. prot-log.txt
5. 1N7I.Targets
6. BindingDB_50028901.mol2
7. 1N7I-voxthresh-10.pdb
8. BindingDB_50028910.docklog.mol2
9. 1N7I-voxthresh-6.pdb
10. BindingDB_13014.docklog
11. BindingDB_50028914.mol2
12. BindingDB_50028911.docklog
13. 1N7I_water.mol2
14. LY1.sdf
15. BindingDB_50028906.docklog
16. BindingDB_50028905.mol2
17. 1N7I-results_BindingDB_50028913.mol2
18. BindingDB_14061.docklog.results_tab.log
19. BindingDB_50028910.docklog
20. BindingDB_13014.mol2
21. BindingDB_50028912.frags.mol2
22. 1N7I.pdb
23. BindingDB_14061.mol2
24. BindingDB_50028901.docklog.results_tab.log
25. BindingDB_50028908.mol2
26. BindingDB_50028910.mol2
27. BindingDB_50028912.docklog
28. BindingDB_50028905.docklog.mol2
29. 1N7I-voxthresh-3.pdb
30. BindingDB_50029101.docklog.mol2
31. bdb_1N7I_LY1_sim.txt
32. 1N7I-voxthresh-1.pdb
33. BindingDB_50028901.frags.mol2
34. 1N7I-results_BindingDB_50028906.mol2
35. BindingDB_50028905.docklog.results_tab.log
36. 1N7I-marked-protein.pdb
37. BindingDB_50028914.docklog.mol2
38. BindingDB_50018238.mol2
39. BindingDB_50029099.docklog
40. BindingDB_50028906.mol2
41. log-results.mol2
42. BindingDB_50018238.docklog
43. 1N7I-voxthresh-7.pdb
44. 1N7I-voxthresh-0.pdb
45. BindingDB_50029099.docklog.results_tab.log
46. BindingDB_50028913.frags.mol2
47. BindingDB_50028914.frags.mol2
48. 1N7I_ligand0.mol2
49. BindingDB_50018238.docklog.mol2
50. 1N7I-results_BindingDB_50028910.mol2
51. BindingDB_50028905.docklog
52. BindingDB_50028913.docklog
53. BindingDB_50028912.docklog.mol2
54. 1N7I-voxthresh-9.pdb
55. BindingDB_50029099.docklog.mol2
56. BindingDB_50028901.docklog.mol2
57. 1N7I_congener-log.txt
58. 1N7I-results_BindingDB_50028901.mol2
59. BindingDB_50028905.frags.mol2
60. BindingDB_50028910.frags.mol2
61. 1N7I-results_BindingDB_50028914.mol2
62. BindingDB_50028906.frags.mol2
63. 1N7I-voxthresh-2.pdb
64. log-results_tab.log
65. BindingDB_50028912.mol2
66. BindingDB_13014.docklog.results_tab.log
67. BindingDB_50029101.frags.mol2
68. BindingDB_14061.docklog
69. protein_sampling.mol2
70. BindingDB_50028911.docklog.results_tab.log
71. 1N7I.opt-protein-trim.mol2
72. 1N7I-protomol.mol2
73. 1N7I-voxthresh-4.pdb
74. BindingDB_50028910.docklog.results_tab.log
75. BindingDB_50029101.docklog
76. 1N7I-voxthresh-5.pdb
77. log
78. BindingDB_50029099.mol2
79. 1N7I_sdf-log.txt
80. 1N7I-results_tab.log
81. BindingDB_50028914.docklog.results_tab.log
82. BindingDB_50028913.docklog.results_tab.log
83. BindingDB_50028908.docklog.results_tab.log
84. 1N7I.mol2
85. BindingDB_50028908.docklog
86. 1N7I-results_BindingDB_14061.mol2
87. BindingDB_14061.docklog.mol2
88. BindingDB_13014.docklog.mol2
89. 1N7I_sdf.mol2
90. 1N7I-results_BindingDB_50028911.mol2
91. 1N7I-results_BindingDB_50029099.mol2
92. BindingDB_50028908.frags.mol2
93. scale
94. frag2.mol2
95. BindingDB_50029101.docklog.results_tab.log
96. BindingDB_50029108.frags.mol2
97. prot.mol2
98. BindingDB_50018238.frags.mol2
99. BindingDB_50028911.frags.mol2
100. BindingDB_50029108.mol2
101. BindingDB_50028911.docklog.mol2
102. 1N7I-results_BindingDB_50028908.mol2
103. BindingDB_50028901.docklog
104. BindingDB_50028913.docklog.mol2
105. 1N7I-results_BindingDB_50029101.mol2
106. BindingDB_50028906.docklog.mol2
107. 1N7I-marked-vox.pdb
108. 1N7I_congener.mol2
109. BindingDB_50028908.docklog.mol2
110. 1N7I-results.mol2
111. BindingDB_50028911.mol2
112. 1N7I_ligand1.mol2
113. 1N7I.csv
114. BindingDB_50029108.docklog.mol2
115. BindingDB_50018238.docklog.results_tab.log
116. 1N7I-results_BindingDB_50028912.mol2
117. BindingDB_50029108.docklog.results_tab.log
118. BindingDB_14061.frags.mol2
119. 1N7I-voxthresh-8.pdb
120. BindingDB_50029101.mol2
121. BindingDB_50029099.frags.mol2
122. BindingDB_13014.frags.mol2
123. 1N7I-results_BindingDB_13014.mol2
124. BindingDB_50028912.docklog.results_tab.log
125. frag1.mol2
126. BindingDB_50029108.docklog
127. BindingDB_50028913.mol2
128. BindingDB_50028906.docklog.results_tab.log