Full input and output files for computationally docked structures of congeneric ligands similar to BDBM91959=H6K in crystal structure 4FTC

1. BindingDB_91854.docklog.mol2
2. BindingDB_50414082.mol2
3. BindingDB_50414082.docklog.results_tab.log
4. prot-log.txt
5. 4FTC-results_BindingDB_91836.mol2
6. BindingDB_91928.frags.mol2
7. BindingDB_91956.docklog
8. 4FTC_ligand0.mol2
9. BindingDB_91854.docklog
10. 4FTC-results_BindingDB_91928.mol2
11. BindingDB_91941.docklog.mol2
12. BindingDB_91891.frags.mol2
13. 4FTC_ligand4.mol2
14. BindingDB_91957.docklog
15. 4FTC_congener-log.txt
16. BindingDB_91958.docklog
17. 4FTC.opt-protein-trim.mol2
18. 4FTC-voxthresh-2.pdb
19. BindingDB_91891.docklog.mol2
20. BindingDB_91944.docklog.mol2
21. BindingDB_91944.docklog
22. 4FTC-results_BindingDB_91959.mol2
23. BindingDB_91962.docklog.mol2
24. 4FTC-voxthresh-9.pdb
25. BindingDB_91928.docklog
26. 4FTC-voxthresh-0.pdb
27. BindingDB_91928.docklog.results_tab.log
28. BindingDB_91959.frags.mol2
29. BindingDB_91958.frags.mol2
30. 4FTC-results_BindingDB_91958.mol2
31. BindingDB_91959.docklog
32. BindingDB_91960.docklog.mol2
33. 4FTC.mol2
34. BindingDB_91959.docklog.results_tab.log
35. 4FTC-marked-vox.pdb
36. log-results.mol2
37. 4FTC-results.mol2
38. BindingDB_91956.frags.mol2
39. BindingDB_91894.frags.mol2
40. BindingDB_91956.docklog.results_tab.log
41. BindingDB_91891.docklog
42. 4FTC.csv
43. BindingDB_91854.mol2
44. bdb_4FTC_H6K_3D.sdf
45. BindingDB_91956.docklog.mol2
46. BindingDB_91944.docklog.results_tab.log
47. BindingDB_91836.docklog.results_tab.log
48. BindingDB_91908.frags.mol2
49. BindingDB_91962.frags.mol2
50. 4FTC_sdf.mol2
51. bdb_4FTC_H6K_sim.txt
52. BindingDB_91894.docklog
53. BindingDB_91957.mol2
54. log-results_tab.log
55. BindingDB_91956.mol2
56. 4FTC-protomol.mol2
57. BindingDB_91944.mol2
58. BindingDB_91894.docklog.mol2
59. 4FTC-results_BindingDB_91956.mol2
60. H6K.sdf
61. 4FTC_sdf-log.txt
62. protein_sampling.mol2
63. 4FTC-voxthresh-1.pdb
64. broken.mol2
65. BindingDB_91894.docklog.results_tab.log
66. BindingDB_91962.docklog.results_tab.log
67. 4FTC-results_BindingDB_91908.mol2
68. BindingDB_91960.docklog
69. log
70. BindingDB_91908.docklog.mol2
71. 4FTC_water.mol2
72. BindingDB_91891.mol2
73. 4FTC_ligand2.mol2
74. 4FTC-voxthresh-3.pdb
75. 4FTC-results_BindingDB_91941.mol2
76. BindingDB_91836.docklog.mol2
77. 4FTC-voxthresh-5.pdb
78. BindingDB_50414082.docklog.mol2
79. 4FTC-voxthresh-10.pdb
80. scale
81. BindingDB_91854.frags.mol2
82. frag2.mol2
83. 4FTC-voxthresh-4.pdb
84. BindingDB_91958.docklog.results_tab.log
85. BindingDB_91959.docklog.mol2
86. 4FTC-results_tab.log
87. BindingDB_91908.docklog.results_tab.log
88. BindingDB_91836.frags.mol2
89. BindingDB_91957.frags.mol2
90. 4FTC-results_BindingDB_91854.mol2
91. BindingDB_91941.mol2
92. 4FTC-marked-protein.pdb
93. 4FTC.pdb
94. BindingDB_91957.docklog.mol2
95. BindingDB_91957.docklog.results_tab.log
96. 4FTC.Targets
97. BindingDB_91960.frags.mol2
98. 4FTC-results_BindingDB_91960.mol2
99. 4FTC_ligand3.mol2
100. BindingDB_91836.mol2
101. BindingDB_91959.mol2
102. BindingDB_91962.docklog
103. 4FTC-results_BindingDB_91894.mol2
104. 4FTC-voxthresh-8.pdb
105. BindingDB_91854.docklog.results_tab.log
106. BindingDB_91960.mol2
107. BindingDB_91962.mol2
108. BindingDB_91928.docklog.mol2
109. BindingDB_91958.docklog.mol2
110. BindingDB_91894.mol2
111. BindingDB_91958.mol2
112. BindingDB_91941.docklog
113. 4FTC_congener.mol2
114. BindingDB_91941.docklog.results_tab.log
115. 4FTC_ligand5.mol2
116. BindingDB_91836.docklog
117. BindingDB_91941.frags.mol2
118. 4FTC_ligand1.mol2
119. BindingDB_91944.frags.mol2
120. 4FTC-results_BindingDB_91891.mol2
121. BindingDB_91891.docklog.results_tab.log
122. 4FTC-voxthresh-7.pdb
123. BindingDB_91908.docklog
124. 4FTC-voxthresh-6.pdb
125. BindingDB_91928.mol2
126. BindingDB_91960.docklog.results_tab.log
127. BindingDB_50414082.docklog
128. 4FTC-results_BindingDB_91962.mol2
129. frag1.mol2
130. BindingDB_50414082.frags.mol2
131. BindingDB_91908.mol2