Full input and output files for computationally docked structures of congeneric ligands similar to BDBM18788=CP7 in crystal structure 2BLC

1. 2BLC-voxthresh-5.pdb
2. 2BLC_water.mol2
3. BindingDB_18788.docklog.mol2
4. BindingDB_18788.mol2
5. BindingDB_18790.docklog
6. BindingDB_18512.docklog
7. BindingDB_18790.frags.mol2
8. BindingDB_18780.docklog
9. 2BLC-results_BindingDB_18781.mol2
10. prot-log.txt
11. BindingDB_18777.docklog.mol2
12. BindingDB_18789.docklog.results_tab.log
13. 2BLC_ligand0.mol2
14. 2BLC-voxthresh-4.pdb
15. 2BLC.pdb
16. 2BLC-voxthresh-7.pdb
17. BindingDB_18784.frags.mol2
18. 2BLC-marked-vox.pdb
19. BindingDB_18782.docklog.results_tab.log
20. 2BLC-results_BindingDB_18776.mol2
21. BindingDB_18781.frags.mol2
22. BindingDB_18784.docklog
23. 2BLC-voxthresh-10.pdb
24. BindingDB_18775.mol2
25. 2BLC-voxthresh-2.pdb
26. BindingDB_18512.docklog.mol2
27. 2BLC.mol2
28. 2BLC-results_BindingDB_18785.mol2
29. bdb_2BLC_CP7_3D.sdf
30. 2BLC-results_BindingDB_18790.mol2
31. 2BLC_congener.mol2
32. 2BLC-voxthresh-6.pdb
33. BindingDB_18789.frags.mol2
34. 2BLC-protomol.mol2
35. BindingDB_18779.frags.mol2
36. BindingDB_18788.docklog
37. BindingDB_18791.docklog.results_tab.log
38. 2BLC.Targets
39. BindingDB_18781.docklog.mol2
40. CP7.sdf
41. BindingDB_18784.docklog.mol2
42. BindingDB_18775.docklog
43. BindingDB_18790.docklog.results_tab.log
44. BindingDB_18782.mol2
45. 2BLC_sdf.mol2
46. BindingDB_18790.mol2
47. 2BLC-results_BindingDB_18512.mol2
48. BindingDB_18776.docklog
49. BindingDB_18782.docklog.mol2
50. 2BLC-results_BindingDB_18782.mol2
51. log-results.mol2
52. BindingDB_18791.docklog.mol2
53. BindingDB_18783.mol2
54. 2BLC-results_BindingDB_18780.mol2
55. BindingDB_18777.frags.mol2
56. BindingDB_18781.mol2
57. BindingDB_18783.docklog.results_tab.log
58. BindingDB_18785.mol2
59. BindingDB_18781.docklog.results_tab.log
60. BindingDB_18783.docklog
61. 2BLC.csv
62. BindingDB_18777.mol2
63. 2BLC-results_BindingDB_18779.mol2
64. BindingDB_18785.docklog.results_tab.log
65. BindingDB_18776.docklog.mol2
66. BindingDB_18783.docklog.mol2
67. log-results_tab.log
68. BindingDB_18790.docklog.mol2
69. BindingDB_18783.frags.mol2
70. bdb_2BLC_CP7_sim.txt
71. 2BLC-results_BindingDB_18783.mol2
72. BindingDB_18776.frags.mol2
73. protein_sampling.mol2
74. BindingDB_18791.frags.mol2
75. BindingDB_18791.docklog
76. BindingDB_18775.docklog.results_tab.log
77. BindingDB_18779.docklog.mol2
78. 2BLC-results_tab.log
79. 2BLC-voxthresh-9.pdb
80. 2BLC_ligand1.mol2
81. BindingDB_18780.docklog.results_tab.log
82. BindingDB_18775.docklog.mol2
83. log
84. BindingDB_18789.mol2
85. 2BLC-voxthresh-3.pdb
86. 2BLC-marked-protein.pdb
87. BindingDB_18791.mol2
88. BindingDB_18776.docklog.results_tab.log
89. BindingDB_18780.mol2
90. BindingDB_18784.mol2
91. 2BLC.opt-protein-trim.mol2
92. BindingDB_18776.mol2
93. BindingDB_18782.frags.mol2
94. BindingDB_18789.docklog
95. 2BLC-results_BindingDB_18775.mol2
96. scale
97. 2BLC-results_BindingDB_18788.mol2
98. frag2.mol2
99. prot.mol2
100. BindingDB_18779.docklog
101. BindingDB_18780.frags.mol2
102. BindingDB_18775.frags.mol2
103. BindingDB_18785.docklog.mol2
104. BindingDB_18777.docklog
105. BindingDB_18788.docklog.results_tab.log
106. BindingDB_18779.mol2
107. 2BLC-results_BindingDB_18784.mol2
108. BindingDB_18512.frags.mol2
109. BindingDB_18785.docklog
110. 2BLC_sdf-log.txt
111. BindingDB_18512.docklog.results_tab.log
112. BindingDB_18785.frags.mol2
113. 2BLC-results.mol2
114. BindingDB_18780.docklog.mol2
115. 2BLC-voxthresh-0.pdb
116. BindingDB_18512.mol2
117. 2BLC-results_BindingDB_18777.mol2
118. BindingDB_18782.docklog
119. 2BLC-voxthresh-1.pdb
120. BindingDB_18789.docklog.mol2
121. BindingDB_18784.docklog.results_tab.log
122. 2BLC_ligand2.mol2
123. BindingDB_18781.docklog
124. 2BLC_congener-log.txt
125. BindingDB_18788.frags.mol2
126. 2BLC-results_BindingDB_18789.mol2
127. 2BLC-voxthresh-8.pdb
128. BindingDB_18779.docklog.results_tab.log
129. frag1.mol2
130. BindingDB_18777.docklog.results_tab.log