Full input and output files for computationally docked structures of congeneric ligands similar to BDBM27919=G13 in crystal structure 3F7I

1. 3F7I.Targets
2. BindingDB_27924.frags.mol2
3. 3F7I_congener-log.txt
4. BindingDB_27919.mol2
5. 3F7I-results_BindingDB_27921.mol2
6. BindingDB_27930.docklog
7. BindingDB_27931.docklog.results_tab.log
8. BindingDB_27926.docklog
9. BindingDB_27923.docklog.results_tab.log
10. prot-log.txt
11. 3F7I-voxthresh-4.pdb
12. BindingDB_27927.docklog.results_tab.log
13. 3F7I-results_BindingDB_27926.mol2
14. 3F7I-results_BindingDB_27925.mol2
15. 3F7I-voxthresh-3.pdb
16. BindingDB_27922.docklog.mol2
17. BindingDB_27927.docklog
18. BindingDB_27934.mol2
19. BindingDB_27932.mol2
20. 3F7I-results_BindingDB_27932.mol2
21. BindingDB_27919.docklog.mol2
22. BindingDB_27923.docklog.mol2
23. bdb_3F7I_G13_sim.txt
24. 3F7I-results_tab.log
25. BindingDB_27932.docklog.results_tab.log
26. 3F7I-results_BindingDB_27934.mol2
27. BindingDB_27924.mol2
28. BindingDB_27925.docklog
29. BindingDB_27927.frags.mol2
30. BindingDB_27923.docklog
31. 3F7I-results_BindingDB_27923.mol2
32. 3F7I-voxthresh-0.pdb
33. BindingDB_27925.mol2
34. BindingDB_27925.docklog.results_tab.log
35. BindingDB_27920.frags.mol2
36. log-results.mol2
37. BindingDB_27935.docklog
38. BindingDB_27920.docklog.results_tab.log
39. BindingDB_27941.docklog.mol2
40. BindingDB_27924.docklog.mol2
41. BindingDB_27925.docklog.mol2
42. 3F7I-results_BindingDB_27920.mol2
43. 3F7I-marked-protein.pdb
44. BindingDB_27934.docklog
45. BindingDB_27931.mol2
46. BindingDB_27924.docklog.results_tab.log
47. BindingDB_27921.docklog.results_tab.log
48. BindingDB_27941.docklog.results_tab.log
49. 3F7I-voxthresh-6.pdb
50. 3F7I-voxthresh-7.pdb
51. BindingDB_27930.docklog.mol2
52. BindingDB_27924.docklog
53. BindingDB_27934.docklog.mol2
54. BindingDB_27930.frags.mol2
55. 3F7I-results_BindingDB_27924.mol2
56. BindingDB_27931.docklog.mol2
57. BindingDB_27926.docklog.mol2
58. BindingDB_27932.docklog.mol2
59. 3F7I-results_BindingDB_27930.mol2
60. BindingDB_27932.frags.mol2
61. BindingDB_27941.mol2
62. BindingDB_27923.mol2
63. log-results_tab.log
64. BindingDB_27941.docklog
65. 3F7I-voxthresh-8.pdb
66. bdb_3F7I_G13_3D.sdf
67. 3F7I-voxthresh-1.pdb
68. 3F7I-results.mol2
69. BindingDB_27919.docklog
70. BindingDB_27920.mol2
71. 3F7I-voxthresh-9.pdb
72. BindingDB_27920.docklog
73. BindingDB_27931.frags.mol2
74. BindingDB_27925.frags.mol2
75. BindingDB_27932.docklog
76. 3F7I.opt-protein-trim.mol2
77. BindingDB_27921.docklog
78. BindingDB_27941.frags.mol2
79. log
80. BindingDB_27919.frags.mol2
81. G13.sdf
82. BindingDB_27927.docklog.mol2
83. 3F7I-protomol.mol2
84. BindingDB_27923.frags.mol2
85. 3F7I-voxthresh-2.pdb
86. BindingDB_27927.mol2
87. 3F7I.csv
88. 3F7I_ligand0.mol2
89. 3F7I-voxthresh-5.pdb
90. BindingDB_27935.docklog.results_tab.log
91. BindingDB_27921.mol2
92. 3F7I_sdf.mol2
93. 3F7I-results_BindingDB_27931.mol2
94. scale
95. frag2.mol2
96. BindingDB_27922.frags.mol2
97. prot.mol2
98. BindingDB_27926.mol2
99. BindingDB_27934.docklog.results_tab.log
100. BindingDB_27930.mol2
101. BindingDB_27922.docklog
102. BindingDB_27926.frags.mol2
103. 3F7I-results_BindingDB_27927.mol2
104. 3F7I.pdb
105. BindingDB_27935.mol2
106. 3F7I-marked-vox.pdb
107. BindingDB_27920.docklog.mol2
108. 3F7I_water.mol2
109. BindingDB_27935.docklog.mol2
110. BindingDB_27930.docklog.results_tab.log
111. BindingDB_27921.frags.mol2
112. BindingDB_27922.docklog.results_tab.log
113. BindingDB_27926.docklog.results_tab.log
114. 3F7I-voxthresh-10.pdb
115. BindingDB_27919.docklog.results_tab.log
116. 3F7I_congener.mol2
117. 3F7I_sdf-log.txt
118. BindingDB_27935.frags.mol2
119. 3F7I-results_BindingDB_27919.mol2
120. frag1.mol2
121. BindingDB_27921.docklog.mol2
122. 3F7I.mol2
123. BindingDB_27934.frags.mol2
124. BindingDB_27922.mol2
125. BindingDB_27931.docklog
126. 3F7I-results_BindingDB_27935.mol2