Full input and output files for computationally docked structures of congeneric ligands similar to BDBM14798=7DE in crystal structure 1Y2J

1. 1Y2J-voxthresh-8.pdb
2. BindingDB_14795.docklog
3. prot-log.txt
4. 1Y2J-results_BindingDB_14797.mol2
5. BindingDB_14797.frags.mol2
6. BindingDB_14786.docklog
7. BindingDB_14789.docklog.results_tab.log
8. BindingDB_14796.frags.mol2
9. BindingDB_14791.docklog.results_tab.log
10. BindingDB_14795.docklog.results_tab.log
11. BindingDB_14797.docklog.results_tab.log
12. 1Y2J-voxthresh-0.pdb
13. 1Y2J-results.mol2
14. 1Y2J-voxthresh-7.pdb
15. 1Y2J-results_BindingDB_14791.mol2
16. BindingDB_14793.docklog.results_tab.log
17. BindingDB_14786.frags.mol2
18. BindingDB_14792.docklog.mol2
19. BindingDB_14789.docklog.mol2
20. BindingDB_14787.docklog.results_tab.log
21. 1Y2J-results_BindingDB_14793.mol2
22. 1Y2J_sdf-log.txt
23. BindingDB_14789.frags.mol2
24. BindingDB_14791.docklog.mol2
25. BindingDB_14793.mol2
26. BindingDB_14797.docklog
27. BindingDB_14795.frags.mol2
28. BindingDB_14798.mol2
29. 1Y2J-protomol.mol2
30. BindingDB_14792.docklog.results_tab.log
31. BindingDB_14793.docklog
32. 1Y2J-marked-vox.pdb
33. BindingDB_14790.docklog
34. BindingDB_14796.docklog.mol2
35. BindingDB_14795.mol2
36. BindingDB_14786.mol2
37. log-results.mol2
38. 1Y2J-marked-protein.pdb
39. BindingDB_14791.frags.mol2
40. 1Y2J-voxthresh-3.pdb
41. BindingDB_14793.frags.mol2
42. BindingDB_14798.docklog.results_tab.log
43. bdb_1Y2J_7DE_3D.sdf
44. BindingDB_14785.docklog.results_tab.log
45. 1Y2J-voxthresh-2.pdb
46. 1Y2J.pdb
47. BindingDB_14785.docklog.mol2
48. BindingDB_14793.docklog.mol2
49. BindingDB_14792.frags.mol2
50. BindingDB_14792.docklog
51. bdb_1Y2J_7DE_sim.txt
52. BindingDB_14787.docklog.mol2
53. BindingDB_14790.docklog.results_tab.log
54. 1Y2J_sdf.mol2
55. BindingDB_14794.frags.mol2
56. 1Y2J_ligand1.mol2
57. 1Y2J-voxthresh-1.pdb
58. log-results_tab.log
59. 1Y2J-results_BindingDB_14790.mol2
60. protein_sampling.mol2
61. 1Y2J-results_BindingDB_14794.mol2
62. 1Y2J.mol2
63. BindingDB_14789.mol2
64. 1Y2J-results_tab.log
65. 1Y2J-results_BindingDB_14796.mol2
66. BindingDB_14796.docklog.results_tab.log
67. BindingDB_14787.docklog
68. BindingDB_14785.mol2
69. 1Y2J-results_BindingDB_14787.mol2
70. log
71. BindingDB_14797.docklog.mol2
72. BindingDB_14791.mol2
73. BindingDB_14789.docklog
74. BindingDB_14786.docklog.results_tab.log
75. 1Y2J.opt-protein-trim.mol2
76. BindingDB_14794.docklog.results_tab.log
77. 1Y2J_congener-log.txt
78. BindingDB_14794.mol2
79. BindingDB_14798.docklog
80. 1Y2J_ligand0.mol2
81. BindingDB_14787.mol2
82. BindingDB_14786.docklog.mol2
83. 1Y2J-results_BindingDB_14789.mol2
84. BindingDB_14798.docklog.mol2
85. 1Y2J.Targets
86. BindingDB_14797.mol2
87. 1Y2J-results_BindingDB_14798.mol2
88. 1Y2J-results_BindingDB_14785.mol2
89. 1Y2J-results_BindingDB_14792.mol2
90. scale
91. frag2.mol2
92. prot.mol2
93. 7DE.sdf
94. BindingDB_14796.docklog
95. BindingDB_14790.frags.mol2
96. BindingDB_14790.docklog.mol2
97. BindingDB_14794.docklog.mol2
98. 1Y2J-voxthresh-4.pdb
99. BindingDB_14798.frags.mol2
100. 1Y2J-results_BindingDB_14786.mol2
101. BindingDB_14795.docklog.mol2
102. BindingDB_14787.frags.mol2
103. BindingDB_14785.frags.mol2
104. 1Y2J-voxthresh-6.pdb
105. BindingDB_14791.docklog
106. 1Y2J.csv
107. 1Y2J_water.mol2
108. 1Y2J-voxthresh-5.pdb
109. BindingDB_14794.docklog
110. 1Y2J_congener.mol2
111. 1Y2J-voxthresh-9.pdb
112. BindingDB_14792.mol2
113. 1Y2J-results_BindingDB_14795.mol2
114. BindingDB_14790.mol2
115. frag1.mol2
116. BindingDB_14796.mol2
117. BindingDB_14785.docklog