Full input and output files for computationally docked structures of congeneric ligands similar to BDBM11428=CT9 in crystal structure 1Y91

1. 1Y91-voxthresh-3.pdb
2. BindingDB_11429.docklog.mol2
3. BindingDB_11431.mol2
4. 1Y91-results_BindingDB_11432.mol2
5. prot-log.txt
6. 1Y91_ligand0.mol2
7. BindingDB_11434.docklog.results_tab.log
8. 1Y91-voxthresh-5.pdb
9. BindingDB_11429.frags.mol2
10. BindingDB_11434.frags.mol2
11. BindingDB_11430.docklog.results_tab.log
12. BindingDB_11449.frags.mol2
13. 1Y91-results_BindingDB_11430.mol2
14. BindingDB_11428.docklog.results_tab.log
15. BindingDB_11428.frags.mol2
16. 1Y91_water.mol2
17. BindingDB_11449.docklog.mol2
18. BindingDB_11437.mol2
19. BindingDB_11436.docklog.results_tab.log
20. BindingDB_11430.mol2
21. bdb_1Y91_CT9_sim.txt
22. 1Y91-voxthresh-10.pdb
23. BindingDB_11434.docklog
24. BindingDB_11439.mol2
25. BindingDB_11452.docklog
26. BindingDB_11439.docklog
27. BindingDB_11436.docklog.mol2
28. BindingDB_11429.docklog
29. BindingDB_11430.docklog.mol2
30. BindingDB_11441.docklog.results_tab.log
31. BindingDB_11452.docklog.mol2
32. log-results.mol2
33. 1Y91-results_BindingDB_11436.mol2
34. BindingDB_11431.docklog
35. BindingDB_11433.docklog
36. 1Y91.Targets
37. BindingDB_11428.docklog
38. BindingDB_11436.mol2
39. 1Y91-marked-protein.pdb
40. BindingDB_11437.docklog.results_tab.log
41. BindingDB_11435.docklog
42. BindingDB_11436.frags.mol2
43. BindingDB_11429.docklog.results_tab.log
44. 1Y91.mol2
45. 1Y91-results_tab.log
46. 1Y91_sdf.mol2
47. BindingDB_11441.frags.mol2
48. BindingDB_11449.docklog.results_tab.log
49. BindingDB_11434.mol2
50. 1Y91-results_BindingDB_11435.mol2
51. BindingDB_11428.docklog.mol2
52. CT9.sdf
53. 1Y91-voxthresh-7.pdb
54. BindingDB_11431.docklog.mol2
55. BindingDB_11439.docklog.results_tab.log
56. 1Y91-voxthresh-6.pdb
57. log-results_tab.log
58. BindingDB_11433.mol2
59. BindingDB_11432.docklog
60. BindingDB_11437.docklog
61. BindingDB_11453.docklog.results_tab.log
62. BindingDB_11440.docklog
63. BindingDB_11430.docklog
64. BindingDB_11449.mol2
65. BindingDB_11437.docklog.mol2
66. BindingDB_11439.frags.mol2
67. BindingDB_11432.mol2
68. 1Y91-voxthresh-2.pdb
69. BindingDB_11433.frags.mol2
70. BindingDB_11432.frags.mol2
71. log
72. BindingDB_11453.docklog.mol2
73. BindingDB_11435.frags.mol2
74. BindingDB_11449.docklog
75. 1Y91-results_BindingDB_11433.mol2
76. 1Y91-results.mol2
77. BindingDB_11452.docklog.results_tab.log
78. BindingDB_11440.docklog.results_tab.log
79. BindingDB_11437.frags.mol2
80. BindingDB_11440.frags.mol2
81. 1Y91-results_BindingDB_11441.mol2
82. 1Y91-results_BindingDB_11431.mol2
83. 1Y91-results_BindingDB_11437.mol2
84. BindingDB_11435.docklog.results_tab.log
85. BindingDB_11453.frags.mol2
86. scale
87. frag2.mol2
88. BindingDB_11435.docklog.mol2
89. 1Y91.opt-protein-trim.mol2
90. 1Y91-results_BindingDB_11428.mol2
91. 1Y91-protomol.mol2
92. prot.mol2
93. 1Y91-results_BindingDB_11452.mol2
94. 1Y91_congener.mol2
95. BindingDB_11452.mol2
96. BindingDB_11434.docklog.mol2
97. 1Y91.pdb
98. BindingDB_11432.docklog.results_tab.log
99. 1Y91-voxthresh-1.pdb
100. BindingDB_11441.docklog
101. BindingDB_11453.mol2
102. BindingDB_11440.mol2
103. BindingDB_11431.frags.mol2
104. BindingDB_11432.docklog.mol2
105. 1Y91_sdf-log.txt
106. BindingDB_11436.docklog
107. bdb_1Y91_CT9_3D.sdf
108. BindingDB_11433.docklog.results_tab.log
109. 1Y91.csv
110. BindingDB_11431.docklog.results_tab.log
111. BindingDB_11428.mol2
112. 1Y91-results_BindingDB_11439.mol2
113. 1Y91-results_BindingDB_11434.mol2
114. BindingDB_11440.docklog.mol2
115. BindingDB_11433.docklog.mol2
116. BindingDB_11429.mol2
117. BindingDB_11441.mol2
118. 1Y91-voxthresh-9.pdb
119. BindingDB_11435.mol2
120. 1Y91-voxthresh-4.pdb
121. 1Y91-results_BindingDB_11429.mol2
122. 1Y91_congener-log.txt
123. BindingDB_11452.frags.mol2
124. BindingDB_11441.docklog.mol2
125. BindingDB_11453.docklog
126. BindingDB_11439.docklog.mol2
127. BindingDB_11430.frags.mol2
128. frag1.mol2
129. 1Y91-voxthresh-0.pdb
130. 1Y91-results_BindingDB_11449.mol2
131. 1Y91-marked-vox.pdb
132. 1Y91-voxthresh-8.pdb