Full input and output files for computationally docked structures of congeneric ligands similar to BDBM91899=HK8 in crystal structure 4FSZ

1. 4FSZ_sdf-log.txt
2. BindingDB_91849.mol2
3. BindingDB_91853.mol2
4. 4FSZ.Targets
5. BindingDB_91961.docklog.mol2
6. prot-log.txt
7. BindingDB_91848.mol2
8. BindingDB_91848.docklog
9. 4FSZ-results_BindingDB_91901.mol2
10. 4FSZ_ligand0.mol2
11. BindingDB_91901.frags.mol2
12. BindingDB_91860.docklog.results_tab.log
13. bdb_4FSZ_HK8_sim.txt
14. 4FSZ.pdb
15. BindingDB_91853.docklog
16. BindingDB_50218734.mol2
17. BindingDB_91901.docklog
18. BindingDB_91937.docklog
19. 4FSZ_ligand4.mol2
20. BindingDB_91925.frags.mol2
21. BindingDB_91929.docklog.mol2
22. 4FSZ-results_BindingDB_91863.mol2
23. 4FSZ_ligand1.mol2
24. BindingDB_50218734.docklog.results_tab.log
25. BindingDB_91853.docklog.mol2
26. BindingDB_91901.mol2
27. BindingDB_91932.frags.mol2
28. BindingDB_91860.frags.mol2
29. BindingDB_91863.docklog
30. BindingDB_91932.docklog.mol2
31. 4FSZ-protomol.mol2
32. 4FSZ-results_BindingDB_91848.mol2
33. 4FSZ-results_tab.log
34. BindingDB_91961.docklog.results_tab.log
35. BindingDB_91929.docklog
36. 4FSZ-results_BindingDB_91937.mol2
37. HK8.sdf
38. 4FSZ-results_BindingDB_91867.mol2
39. BindingDB_91851.mol2
40. BindingDB_91899.docklog.results_tab.log
41. 4FSZ_water.mol2
42. log-results.mol2
43. 4FSZ-results_BindingDB_91851.mol2
44. BindingDB_91929.frags.mol2
45. BindingDB_91925.docklog
46. 4FSZ_sdf.mol2
47. 4FSZ-results_BindingDB_91932.mol2
48. 4FSZ-voxthresh-5.pdb
49. BindingDB_91929.docklog.results_tab.log
50. BindingDB_91860.mol2
51. BindingDB_91867.docklog
52. BindingDB_50218734.frags.mol2
53. 4FSZ-results_BindingDB_91929.mol2
54. BindingDB_91925.docklog.mol2
55. BindingDB_91853.docklog.results_tab.log
56. BindingDB_91937.mol2
57. BindingDB_91860.docklog
58. log-results_tab.log
59. BindingDB_91961.frags.mol2
60. BindingDB_50218734.docklog
61. 4FSZ-voxthresh-1.pdb
62. 4FSZ-marked-protein.pdb
63. BindingDB_91849.docklog
64. BindingDB_91867.mol2
65. BindingDB_91849.docklog.mol2
66. BindingDB_91961.mol2
67. protein_sampling.mol2
68. BindingDB_91853.frags.mol2
69. BindingDB_91851.docklog.mol2
70. broken.mol2
71. 4FSZ-voxthresh-7.pdb
72. 4FSZ-results_BindingDB_91899.mol2
73. BindingDB_91863.frags.mol2
74. BindingDB_91863.docklog.results_tab.log
75. 4FSZ_congener.mol2
76. log
77. 4FSZ_ligand2.mol2
78. BindingDB_91901.docklog.mol2
79. 4FSZ-voxthresh-9.pdb
80. BindingDB_91867.docklog.mol2
81. 4FSZ.mol2
82. BindingDB_91901.docklog.results_tab.log
83. 4FSZ_ligand3.mol2
84. BindingDB_91899.frags.mol2
85. BindingDB_91863.docklog.mol2
86. BindingDB_91899.mol2
87. BindingDB_91848.docklog.mol2
88. 4FSZ-voxthresh-3.pdb
89. BindingDB_50218734.docklog.mol2
90. 4FSZ-voxthresh-6.pdb
91. BindingDB_91867.frags.mol2
92. 4FSZ-results_BindingDB_91853.mol2
93. BindingDB_91851.frags.mol2
94. BindingDB_91899.docklog
95. 4FSZ.csv
96. scale
97. frag2.mol2
98. prot.mol2
99. 4FSZ-voxthresh-2.pdb
100. BindingDB_91851.docklog.results_tab.log
101. BindingDB_91932.mol2
102. 4FSZ-results_BindingDB_91849.mol2
103. BindingDB_91851.docklog
104. BindingDB_91937.docklog.mol2
105. 4FSZ-voxthresh-4.pdb
106. BindingDB_91860.docklog.mol2
107. BindingDB_91937.frags.mol2
108. 4FSZ-voxthresh-10.pdb
109. BindingDB_91848.docklog.results_tab.log
110. 4FSZ-results_BindingDB_91961.mol2
111. 4FSZ_congener-log.txt
112. BindingDB_91925.docklog.results_tab.log
113. 4FSZ-voxthresh-0.pdb
114. BindingDB_91932.docklog
115. BindingDB_91849.frags.mol2
116. 4FSZ-results_BindingDB_91925.mol2
117. 4FSZ-results_BindingDB_91860.mol2
118. BindingDB_91848.frags.mol2
119. 4FSZ-results.mol2
120. bdb_4FSZ_HK8_3D.sdf
121. BindingDB_91849.docklog.results_tab.log
122. BindingDB_91961.docklog
123. BindingDB_91925.mol2
124. 4FSZ_ligand5.mol2
125. BindingDB_91929.mol2
126. BindingDB_91937.docklog.results_tab.log
127. 4FSZ-voxthresh-8.pdb
128. 4FSZ-marked-vox.pdb
129. frag1.mol2
130. 4FSZ.opt-protein-trim.mol2
131. BindingDB_91932.docklog.results_tab.log
132. BindingDB_91867.docklog.results_tab.log
133. BindingDB_91863.mol2
134. BindingDB_91899.docklog.mol2