Full input and output files for computationally docked structures of congeneric ligands similar to BDBM24060=N4T in crystal structure 2FL2

1. BindingDB_24061.docklog.mol2
2. 2FL2-voxthresh-4.pdb
3. 2FL2_water.mol2
4. prot-log.txt
5. BindingDB_24058.docklog
6. BindingDB_50181140.docklog
7. 2FL2_ligand0.mol2
8. BindingDB_50181140.mol2
9. BindingDB_24050.docklog.mol2
10. BindingDB_24057.docklog
11. BindingDB_24048.docklog.mol2
12. BindingDB_24062.docklog
13. BindingDB_50181138.docklog.results_tab.log
14. BindingDB_24063.mol2
15. 2FL2-voxthresh-10.pdb
16. BindingDB_24061.docklog.results_tab.log
17. 2FL2-voxthresh-0.pdb
18. 2FL2_sdf-log.txt
19. 2FL2.pdb
20. BindingDB_24062.frags.mol2
21. BindingDB_24048.docklog
22. 2FL2-results_BindingDB_50181137.mol2
23. BindingDB_24050.docklog.results_tab.log
24. 2FL2-voxthresh-7.pdb
25. 2FL2-results_BindingDB_24060.mol2
26. BindingDB_24059.docklog
27. 2FL2-voxthresh-9.pdb
28. 2FL2-marked-protein.pdb
29. BindingDB_50181139.frags.mol2
30. BindingDB_50181137.docklog.results_tab.log
31. log-results.mol2
32. BindingDB_50181138.mol2
33. BindingDB_50181138.frags.mol2
34. BindingDB_24060.docklog.mol2
35. BindingDB_50181141.docklog.results_tab.log
36. BindingDB_24060.frags.mol2
37. BindingDB_24050.frags.mol2
38. BindingDB_50181140.docklog.mol2
39. bdb_2FL2_N4T_sim.txt
40. BindingDB_50181138.docklog
41. BindingDB_24055.docklog.mol2
42. BindingDB_24062.docklog.mol2
43. BindingDB_24058.frags.mol2
44. BindingDB_24057.mol2
45. 2FL2_congener-log.txt
46. 2FL2-results_tab.log
47. 2FL2-results_BindingDB_50181138.mol2
48. BindingDB_24059.docklog.results_tab.log
49. 2FL2-results_BindingDB_24062.mol2
50. BindingDB_24063.frags.mol2
51. 2FL2-voxthresh-8.pdb
52. log-results_tab.log
53. BindingDB_50181139.mol2
54. BindingDB_50181140.docklog.results_tab.log
55. BindingDB_24061.docklog
56. BindingDB_50181139.docklog.results_tab.log
57. BindingDB_24060.mol2
58. BindingDB_24063.docklog.mol2
59. BindingDB_24063.docklog
60. protein_sampling.mol2
61. BindingDB_50181140.frags.mol2
62. BindingDB_50181141.docklog
63. BindingDB_24055.mol2
64. BindingDB_24057.docklog.mol2
65. BindingDB_24060.docklog
66. 2FL2-voxthresh-5.pdb
67. N4T.sdf
68. BindingDB_24048.frags.mol2
69. BindingDB_50181141.docklog.mol2
70. log
71. BindingDB_24061.mol2
72. BindingDB_24058.docklog.results_tab.log
73. BindingDB_50181137.frags.mol2
74. BindingDB_24057.docklog.results_tab.log
75. 2FL2_congener.mol2
76. BindingDB_50181137.docklog
77. 2FL2-marked-vox.pdb
78. scale
79. frag2.mol2
80. BindingDB_24050.mol2
81. 2FL2-voxthresh-2.pdb
82. BindingDB_50181137.docklog.mol2
83. prot.mol2
84. 2FL2.csv
85. BindingDB_24059.docklog.mol2
86. BindingDB_24063.docklog.results_tab.log
87. BindingDB_24062.mol2
88. 2FL2-results_BindingDB_50181139.mol2
89. 2FL2-results_BindingDB_24063.mol2
90. BindingDB_24058.docklog.mol2
91. BindingDB_24048.mol2
92. 2FL2-results.mol2
93. BindingDB_24057.frags.mol2
94. BindingDB_50181139.docklog
95. BindingDB_24048.docklog.results_tab.log
96. 2FL2-voxthresh-3.pdb
97. 2FL2.opt-protein-trim.mol2
98. 2FL2-results_BindingDB_24057.mol2
99. BindingDB_50181141.frags.mol2
100. BindingDB_50181138.docklog.mol2
101. BindingDB_24055.docklog
102. 2FL2-protomol.mol2
103. BindingDB_24058.mol2
104. BindingDB_50181139.docklog.mol2
105. 2FL2.Targets
106. BindingDB_24055.frags.mol2
107. BindingDB_50181137.mol2
108. 2FL2-results_BindingDB_24055.mol2
109. BindingDB_24059.frags.mol2
110. BindingDB_24061.frags.mol2
111. bdb_2FL2_N4T_3D.sdf
112. BindingDB_50181141.mol2
113. BindingDB_24050.docklog
114. 2FL2-results_BindingDB_50181140.mol2
115. 2FL2_sdf.mol2
116. 2FL2_ligand1.mol2
117. 2FL2.mol2
118. 2FL2-voxthresh-6.pdb
119. BindingDB_24055.docklog.results_tab.log
120. frag1.mol2
121. BindingDB_24060.docklog.results_tab.log
122. BindingDB_24059.mol2
123. BindingDB_24062.docklog.results_tab.log
124. 2FL2-voxthresh-1.pdb