Full input and output files for computationally docked structures of congeneric ligands similar to BDBM50103227=PIC in crystal structure 1BZJ

1. BindingDB_50070000.docklog.results_tab.log
2. BindingDB_50102186.frags.mol2
3. 1BZJ-voxthresh-8.pdb
4. BindingDB_50070000.docklog
5. BindingDB_50070003.mol2
6. BindingDB_50075312.docklog.mol2
7. 1BZJ-voxthresh-0.pdb
8. BindingDB_50069998.mol2
9. prot-log.txt
10. bdb_1BZJ_PIC_sim.txt
11. 1BZJ_water.mol2
12. 1BZJ_sdf.mol2
13. 1BZJ-voxthresh-10.pdb
14. 1BZJ-voxthresh-4.pdb
15. 1BZJ-voxthresh-5.pdb
16. BindingDB_50075313.docklog
17. BindingDB_50075312.docklog.results_tab.log
18. BindingDB_50070004.docklog.mol2
19. BindingDB_50075308.docklog
20. 1BZJ-results_BindingDB_50102186.mol2
21. BindingDB_50239833.docklog
22. 1BZJ.Targets
23. BindingDB_50102186.docklog.results_tab.log
24. BindingDB_50107745.mol2
25. BindingDB_50107745.docklog
26. BindingDB_50069997.docklog.results_tab.log
27. 1BZJ-results_tab.log
28. BindingDB_50239833.docklog.mol2
29. BindingDB_50107745.docklog.results_tab.log
30. 1BZJ-voxthresh-6.pdb
31. BindingDB_50069998.docklog.results_tab.log
32. BindingDB_50070003.frags.mol2
33. BindingDB_50069998.frags.mol2
34. 1BZJ-marked-protein.pdb
35. 1BZJ-protomol.mol2
36. 1BZJ-voxthresh-2.pdb
37. 1BZJ-voxthresh-1.pdb
38. log-results.mol2
39. BindingDB_50102186.mol2
40. 1BZJ-results_BindingDB_50070000.mol2
41. 1BZJ-results_BindingDB_50075312.mol2
42. BindingDB_50132237.docklog
43. BindingDB_50070001.docklog.results_tab.log
44. BindingDB_50070000.frags.mol2
45. 1BZJ_ligand0.mol2
46. 1BZJ.opt-protein-trim.mol2
47. 1BZJ-voxthresh-3.pdb
48. 1BZJ.csv
49. BindingDB_50070000.docklog.mol2
50. BindingDB_50069998.docklog
51. BindingDB_50132237.mol2
52. BindingDB_50103227.docklog.mol2
53. BindingDB_50075312.frags.mol2
54. PIC.sdf
55. log-results_tab.log
56. BindingDB_50070001.frags.mol2
57. BindingDB_50069997.mol2
58. BindingDB_50069998.docklog.mol2
59. protein_sampling.mol2
60. BindingDB_50070004.frags.mol2
61. BindingDB_50103227.frags.mol2
62. BindingDB_50075308.docklog.mol2
63. BindingDB_50239833.frags.mol2
64. BindingDB_50069997.docklog.mol2
65. BindingDB_50102186.docklog.mol2
66. 1BZJ-results_BindingDB_50103227.mol2
67. BindingDB_50075312.mol2
68. log
69. BindingDB_50132237.docklog.mol2
70. BindingDB_50239833.mol2
71. bdb_1BZJ_PIC_3D.sdf
72. BindingDB_50103227.docklog.results_tab.log
73. 1BZJ-results_BindingDB_50069997.mol2
74. scale
75. BindingDB_50069997.docklog
76. BindingDB_50102186.docklog
77. frag2.mol2
78. 1BZJ-results_BindingDB_50070004.mol2
79. prot.mol2
80. BindingDB_50070001.docklog.mol2
81. BindingDB_50075313.mol2
82. BindingDB_50132237.docklog.results_tab.log
83. BindingDB_50070001.mol2
84. BindingDB_50070003.docklog.results_tab.log
85. 1BZJ_sdf-log.txt
86. 1BZJ-results.mol2
87. 1BZJ-results_BindingDB_50070003.mol2
88. BindingDB_50075313.docklog.mol2
89. BindingDB_50070004.docklog.results_tab.log
90. BindingDB_50075312.docklog
91. BindingDB_50239833.docklog.results_tab.log
92. 1BZJ-marked-vox.pdb
93. BindingDB_50107745.frags.mol2
94. UnDockable.list
95. BindingDB_50075308.docklog.results_tab.log
96. BindingDB_50107745.docklog.mol2
97. BindingDB_50069997.frags.mol2
98. BindingDB_50103227.mol2
99. BindingDB_50070004.docklog
100. 1BZJ.pdb
101. BindingDB_50075308.frags.mol2
102. 1BZJ_congener-log.txt
103. BindingDB_50075308.mol2
104. BindingDB_50070003.docklog
105. 1BZJ-voxthresh-9.pdb
106. BindingDB_50075313.docklog.results_tab.log
107. 1BZJ-results_BindingDB_50070001.mol2
108. BindingDB_50070004.mol2
109. BindingDB_50075313.frags.mol2
110. BindingDB_50070003.docklog.mol2
111. BindingDB_50103227.docklog
112. 1BZJ_congener.mol2
113. BindingDB_50132237.frags.mol2
114. frag1.mol2
115. BindingDB_50070001.docklog
116. 1BZJ-results_BindingDB_50107745.mol2
117. 1BZJ.mol2
118. 1BZJ-voxthresh-7.pdb
119. BindingDB_50070000.mol2