Full input and output files for computationally docked structures of congeneric ligands similar to BDBM22113=TDI in crystal structure 1Y6Q

1. 1Y6Q-results_BindingDB_36494.mol2
2. 1Y6Q_sdf.mol2
3. BindingDB_50170093.frags.mol2
4. prot-log.txt
5. BindingDB_36498.mol2
6. BindingDB_36494.docklog
7. 1Y6Q-voxthresh-8.pdb
8. 1Y6Q-voxthresh-3.pdb
9. 1Y6Q-protomol.mol2
10. BindingDB_50170093.mol2
11. BindingDB_36498.docklog
12. 1Y6Q.pdb
13. 1Y6Q_congener.mol2
14. BindingDB_36435.docklog.results_tab.log
15. BindingDB_36435.mol2
16. BindingDB_36497.frags.mol2
17. 1Y6Q-voxthresh-4.pdb
18. BindingDB_36496.docklog.mol2
19. BindingDB_22110.docklog.results_tab.log
20. 1Y6Q-results_BindingDB_36498.mol2
21. 1Y6Q-voxthresh-1.pdb
22. 1Y6Q-results_tab.log
23. BindingDB_36497.docklog
24. BindingDB_36496.frags.mol2
25. BindingDB_22110.mol2
26. 1Y6Q-voxthresh-5.pdb
27. BindingDB_36495.mol2
28. BindingDB_22113.frags.mol2
29. BindingDB_36435.frags.mol2
30. BindingDB_22110.frags.mol2
31. 1Y6Q-voxthresh-10.pdb
32. BindingDB_50183258.mol2
33. BindingDB_22112.docklog.mol2
34. BindingDB_50183258.frags.mol2
35. BindingDB_36497.mol2
36. log-results.mol2
37. 1Y6Q-results_BindingDB_22112.mol2
38. 1Y6Q_ligand0.mol2
39. 1Y6Q-results_BindingDB_22110.mol2
40. BindingDB_36435.docklog.mol2
41. BindingDB_36498.frags.mol2
42. BindingDB_22112.frags.mol2
43. BindingDB_36496.docklog.results_tab.log
44. 1Y6Q.csv
45. 1Y6Q-results_BindingDB_22113.mol2
46. bdb_1Y6Q_TDI_sim.txt
47. BindingDB_22110.docklog
48. BindingDB_36495.docklog.mol2
49. log-results_tab.log
50. 1Y6Q-results_BindingDB_36436.mol2
51. 1Y6Q_ligand1.mol2
52. BindingDB_36494.docklog.results_tab.log
53. BindingDB_22112.docklog
54. protein_sampling.mol2
55. 1Y6Q-results_BindingDB_36435.mol2
56. BindingDB_22113.mol2
57. 1Y6Q-voxthresh-7.pdb
58. BindingDB_22113.docklog
59. TDI.sdf
60. bdb_1Y6Q_TDI_3D.sdf
61. log
62. BindingDB_22113.docklog.results_tab.log
63. ligand_sampling.mol2
64. BindingDB_50170093.docklog.mol2
65. BindingDB_22110.docklog.mol2
66. BindingDB_22112.docklog.results_tab.log
67. BindingDB_36435.docklog
68. 1Y6Q-results_BindingDB_36496.mol2
69. BindingDB_36436.mol2
70. 1Y6Q-results_BindingDB_36497.mol2
71. 1Y6Q-voxthresh-0.pdb
72. 1Y6Q_water.mol2
73. BindingDB_50170093.docklog.results_tab.log
74. BindingDB_36495.frags.mol2
75. 1Y6Q-results_BindingDB_36495.mol2
76. scale
77. frag2.mol2
78. BindingDB_36495.docklog
79. BindingDB_36497.docklog.results_tab.log
80. BindingDB_36498.docklog.results_tab.log
81. prot.mol2
82. BindingDB_22112.mol2
83. 1Y6Q-voxthresh-6.pdb
84. 1Y6Q.opt-protein-trim.mol2
85. 1Y6Q-results_BindingDB_50170093.mol2
86. BindingDB_36496.mol2
87. BindingDB_50170093.docklog
88. BindingDB_50183258.docklog.results_tab.log
89. BindingDB_36494.docklog.mol2
90. 1Y6Q-marked-vox.pdb
91. BindingDB_50183258.docklog
92. BindingDB_36494.mol2
93. 1Y6Q_sdf-log.txt
94. BindingDB_36436.docklog.results_tab.log
95. BindingDB_36436.frags.mol2
96. 1Y6Q-voxthresh-2.pdb
97. 1Y6Q-results.mol2
98. BindingDB_36494.frags.mol2
99. BindingDB_22113.docklog.mol2
100. 1Y6Q.mol2
101. BindingDB_36498.docklog.mol2
102. 1Y6Q.Targets
103. 1Y6Q-voxthresh-9.pdb
104. BindingDB_36436.docklog
105. 1Y6Q-marked-protein.pdb
106. BindingDB_50183258.docklog.mol2
107. BindingDB_36497.docklog.mol2
108. 1Y6Q_congener-log.txt
109. frag1.mol2
110. BindingDB_36496.docklog
111. BindingDB_36436.docklog.mol2
112. BindingDB_36495.docklog.results_tab.log