Full input and output files for computationally docked structures of congeneric ligands similar to BDBM50218734=HK6 in crystal structure 4FSW

1. 4FSW-results_BindingDB_50218721.mol2
2. 4FSW-results_BindingDB_50218731.mol2
3. 4FSW-voxthresh-2.pdb
4. 4FSW-voxthresh-5.pdb
5. BindingDB_91961.docklog.mol2
6. prot-log.txt
7. BindingDB_50218736.mol2
8. BindingDB_50218714.docklog
9. BindingDB_50218707.docklog.results_tab.log
10. BindingDB_91901.frags.mol2
11. BindingDB_50218708.frags.mol2
12. 4FSW-voxthresh-6.pdb
13. BindingDB_91860.docklog.results_tab.log
14. 4FSW-results_BindingDB_50218714.mol2
15. BindingDB_50218721.mol2
16. BindingDB_50218734.mol2
17. BindingDB_50218725.mol2
18. BindingDB_91901.docklog
19. BindingDB_50218707.docklog
20. 4FSW.pdb
21. BindingDB_50218714.docklog.results_tab.log
22. 4FSW_ligand2.mol2
23. 4FSW-results_BindingDB_91860.mol2
24. 4FSW-results_BindingDB_50218736.mol2
25. BindingDB_50218734.docklog.results_tab.log
26. BindingDB_50218707.docklog.mol2
27. BindingDB_91901.mol2
28. 4FSW-results_BindingDB_91899.mol2
29. BindingDB_91860.frags.mol2
30. BindingDB_91863.docklog
31. 4FSW.mol2
32. 4FSW.csv
33. 4FSW-marked-protein.pdb
34. 4FSW_sdf-log.txt
35. BindingDB_91961.docklog.results_tab.log
36. 4FSW-results_BindingDB_50218708.mol2
37. BindingDB_91899.docklog.results_tab.log
38. BindingDB_91916.docklog.results_tab.log
39. BindingDB_50218725.docklog
40. log-results.mol2
41. BindingDB_50414119.docklog
42. 4FSW-marked-vox.pdb
43. BindingDB_91916.mol2
44. BindingDB_50218708.docklog
45. BindingDB_91860.mol2
46. BindingDB_50218734.frags.mol2
47. BindingDB_50218721.docklog
48. BindingDB_50218708.docklog.mol2
49. 4FSW_ligand0.mol2
50. BindingDB_50218725.docklog.results_tab.log
51. BindingDB_91860.docklog
52. BindingDB_50218707.mol2
53. log-results_tab.log
54. BindingDB_91961.frags.mol2
55. 4FSW-results_BindingDB_50218725.mol2
56. BindingDB_50218734.docklog
57. 4FSW-results_BindingDB_91961.mol2
58. bdb_4FSW_HK6_3D.sdf
59. 4FSW_ligand3.mol2
60. BindingDB_91961.mol2
61. protein_sampling.mol2
62. BindingDB_50218731.docklog
63. 4FSW_congener.mol2
64. broken.mol2
65. BindingDB_50218731.frags.mol2
66. 4FSW-voxthresh-4.pdb
67. BindingDB_91863.frags.mol2
68. BindingDB_91863.docklog.results_tab.log
69. 4FSW-results_BindingDB_50218707.mol2
70. 4FSW-voxthresh-10.pdb
71. bdb_4FSW_HK6_sim.txt
72. log
73. BindingDB_91901.docklog.mol2
74. 4FSW-results_tab.log
75. BindingDB_91916.frags.mol2
76. BindingDB_50218714.frags.mol2
77. BindingDB_50218721.frags.mol2
78. 4FSW-voxthresh-0.pdb
79. BindingDB_91901.docklog.results_tab.log
80. BindingDB_50218714.mol2
81. BindingDB_91899.frags.mol2
82. 4FSW-results_BindingDB_91901.mol2
83. 4FSW_sdf.mol2
84. BindingDB_50218707.frags.mol2
85. 4FSW_congener-log.txt
86. BindingDB_91863.docklog.mol2
87. BindingDB_50414119.mol2
88. 4FSW-results_BindingDB_91916.mol2
89. BindingDB_91899.mol2
90. BindingDB_50218731.docklog.mol2
91. BindingDB_50218734.docklog.mol2
92. BindingDB_91899.docklog
93. scale
94. BindingDB_91916.docklog.mol2
95. frag2.mol2
96. prot.mol2
97. BindingDB_50218725.frags.mol2
98. BindingDB_50218725.docklog.mol2
99. BindingDB_50218721.docklog.results_tab.log
100. 4FSW_ligand1.mol2
101. BindingDB_50218714.docklog.mol2
102. BindingDB_50218731.mol2
103. 4FSW-protomol.mol2
104. BindingDB_50218708.docklog.results_tab.log
105. 4FSW.Targets
106. BindingDB_91860.docklog.mol2
107. 4FSW-results_BindingDB_50218734.mol2
108. HK6.sdf
109. 4FSW-voxthresh-1.pdb
110. BindingDB_50414119.frags.mol2
111. BindingDB_50218736.docklog
112. BindingDB_50218721.docklog.mol2
113. BindingDB_50218731.docklog.results_tab.log
114. 4FSW-voxthresh-3.pdb
115. BindingDB_50218708.mol2
116. 4FSW-results_BindingDB_91863.mol2
117. 4FSW-voxthresh-7.pdb
118. 4FSW_water.mol2
119. BindingDB_50218736.docklog.results_tab.log
120. BindingDB_50218736.frags.mol2
121. 4FSW-voxthresh-9.pdb
122. BindingDB_91961.docklog
123. BindingDB_50414119.docklog.mol2
124. frag1.mol2
125. BindingDB_50218736.docklog.mol2
126. BindingDB_50414119.docklog.results_tab.log
127. 4FSW-voxthresh-8.pdb
128. BindingDB_91916.docklog
129. 4FSW.opt-protein-trim.mol2
130. BindingDB_91863.mol2
131. BindingDB_91899.docklog.mol2
132. 4FSW-results.mol2