Full input and output files for computationally docked structures of congeneric ligands similar to BDBM50254450=LN5 in crystal structure 3I4A

1. BindingDB_50254449.docklog.results_tab.log
2. 3I4A-results_BindingDB_50240715.mol2
3. BindingDB_50254452.docklog.results_tab.log
4. BindingDB_50254450.docklog.results_tab.log
5. prot-log.txt
6. 3I4A-results_tab.log
7. 3I4A-results_BindingDB_50254449.mol2
8. BindingDB_50240715.frags.mol2
9. 3I4A.csv
10. 3I4A_ligand0.mol2
11. 3I4A-results_BindingDB_50254450.mol2
12. BindingDB_50240959.docklog.mol2
13. BindingDB_50240716.docklog.mol2
14. BindingDB_50049254.frags.mol2
15. BindingDB_50254451.docklog.results_tab.log
16. 3I4A-voxthresh-4.pdb
17. bdb_3I4A_LN5_sim.txt
18. BindingDB_50049254.docklog.results_tab.log
19. 3I4A-results_BindingDB_50240716.mol2
20. BindingDB_50240959.frags.mol2
21. BindingDB_50240714.frags.mol2
22. BindingDB_50240959.docklog
23. BindingDB_50255074.frags.mol2
24. BindingDB_50254449.frags.mol2
25. BindingDB_50049254.mol2
26. 3I4A-voxthresh-10.pdb
27. BindingDB_50254450.frags.mol2
28. BindingDB_50240959.docklog.results_tab.log
29. BindingDB_50049254.docklog.mol2
30. 3I4A-voxthresh-5.pdb
31. log-results.mol2
32. BindingDB_50240716.mol2
33. BindingDB_50254449.docklog
34. 3I4A-results_BindingDB_50254452.mol2
35. BindingDB_50254452.mol2
36. BindingDB_50255074.mol2
37. BindingDB_50254452.frags.mol2
38. 3I4A_water.mol2
39. 3I4A.mol2
40. 3I4A.Targets
41. 3I4A-results_BindingDB_50240714.mol2
42. BindingDB_50240714.mol2
43. BindingDB_50240714.docklog.mol2
44. BindingDB_50240714.docklog
45. BindingDB_50254450.docklog
46. BindingDB_50240714.docklog.results_tab.log
47. log-results_tab.log
48. BindingDB_50240715.docklog.mol2
49. BindingDB_50254450.mol2
50. protein_sampling.mol2
51. 3I4A.pdb
52. BindingDB_50240716.docklog
53. BindingDB_50254451.docklog
54. BindingDB_50254451.mol2
55. BindingDB_50254450.docklog.mol2
56. 3I4A-voxthresh-9.pdb
57. 3I4A-voxthresh-7.pdb
58. log
59. BindingDB_50240716.frags.mol2
60. BindingDB_50049254.docklog
61. BindingDB_50255074.docklog
62. 3I4A-results.mol2
63. BindingDB_50254449.mol2
64. 3I4A-results_BindingDB_50254451.mol2
65. 3I4A-voxthresh-3.pdb
66. BindingDB_50255074.docklog.mol2
67. 3I4A-protomol.mol2
68. 3I4A-voxthresh-0.pdb
69. scale
70. frag2.mol2
71. BindingDB_50254451.docklog.mol2
72. prot.mol2
73. 3I4A_congener-log.txt
74. BindingDB_50254452.docklog.mol2
75. 3I4A-results_BindingDB_50240959.mol2
76. 3I4A-marked-protein.pdb
77. LN5.sdf
78. 3I4A-voxthresh-1.pdb
79. 3I4A_sdf-log.txt
80. BindingDB_50254449.docklog.mol2
81. BindingDB_50240715.docklog.results_tab.log
82. BindingDB_50240716.docklog.results_tab.log
83. 3I4A-results_BindingDB_50049254.mol2
84. 3I4A_congener.mol2
85. 3I4A-voxthresh-8.pdb
86. BindingDB_50254451.frags.mol2
87. 3I4A_sdf.mol2
88. 3I4A-marked-vox.pdb
89. 3I4A-voxthresh-2.pdb
90. 3I4A.opt-protein-trim.mol2
91. 3I4A-voxthresh-6.pdb
92. BindingDB_50240715.mol2
93. bdb_3I4A_LN5_3D.sdf
94. BindingDB_50240715.docklog
95. BindingDB_50255074.docklog.results_tab.log
96. BindingDB_50240959.mol2
97. frag1.mol2
98. BindingDB_50254452.docklog