Full input and output files for computationally docked structures of congeneric ligands similar to BDBM50165796=RPF in crystal structure 2BKT

1. BindingDB_18025.frags.mol2
2. prot-log.txt
3. BindingDB_17965.mol2
4. BindingDB_50165799.frags.mol2
5. 2BKT.pdb
6. BindingDB_18025.docklog
7. BindingDB_18023.docklog.mol2
8. 2BKT_sdf.mol2
9. BindingDB_17965.frags.mol2
10. BindingDB_18026.docklog.mol2
11. BindingDB_18022.mol2
12. BindingDB_50165804.docklog
13. 2BKT_congener-log.txt
14. 2BKT-results_BindingDB_17965.mol2
15. BindingDB_18030.frags.mol2
16. 2BKT-marked-vox.pdb
17. 2BKT_sdf-log.txt
18. BindingDB_18023.docklog
19. BindingDB_18022.frags.mol2
20. 2BKT-voxthresh-7.pdb
21. log-results.mol2
22. 2BKT-results_BindingDB_18025.mol2
23. 2BKT.mol2
24. BindingDB_17965.docklog
25. 2BKT-voxthresh-5.pdb
26. BindingDB_18025.docklog.results_tab.log
27. 2BKT-voxthresh-3.pdb
28. 2BKT.opt-protein-trim.mol2
29. BindingDB_18027.mol2
30. BindingDB_18027.docklog.results_tab.log
31. BindingDB_50165799.docklog
32. 2BKT-results_BindingDB_18023.mol2
33. BindingDB_18026.docklog.results_tab.log
34. BindingDB_18030.docklog
35. BindingDB_18030.docklog.mol2
36. 2BKT-voxthresh-2.pdb
37. log-results_tab.log
38. BindingDB_50165804.docklog.results_tab.log
39. 2BKT-protomol.mol2
40. BindingDB_50165802.docklog
41. BindingDB_17965.docklog.results_tab.log
42. BindingDB_18022.docklog.results_tab.log
43. 2BKT-voxthresh-6.pdb
44. 2BKT-voxthresh-4.pdb
45. protein_sampling.mol2
46. BindingDB_50165799.mol2
47. 2BKT-results.mol2
48. 2BKT-voxthresh-0.pdb
49. 2BKT-results_tab.log
50. log
51. 2BKT-results_BindingDB_18026.mol2
52. BindingDB_50165804.frags.mol2
53. BindingDB_50165799.docklog.results_tab.log
54. BindingDB_50165804.mol2
55. 2BKT.Targets
56. BindingDB_18026.mol2
57. BindingDB_50165804.docklog.mol2
58. BindingDB_18022.docklog.mol2
59. bdb_2BKT_RPF_3D.sdf
60. BindingDB_18023.docklog.results_tab.log
61. BindingDB_50165799.docklog.mol2
62. BindingDB_18030.docklog.results_tab.log
63. BindingDB_18030.mol2
64. scale
65. frag2.mol2
66. BindingDB_17965.docklog.mol2
67. prot.mol2
68. 2BKT-voxthresh-9.pdb
69. 2BKT-marked-protein.pdb
70. 2BKT_congener.mol2
71. BindingDB_18027.docklog.mol2
72. BindingDB_50165802.frags.mol2
73. 2BKT_water.mol2
74. 2BKT-voxthresh-1.pdb
75. RPF.sdf
76. BindingDB_50165802.docklog.mol2
77. BindingDB_18023.frags.mol2
78. BindingDB_18025.docklog.mol2
79. 2BKT-results_BindingDB_50165799.mol2
80. BindingDB_50165802.docklog.results_tab.log
81. 2BKT-results_BindingDB_50165802.mol2
82. BindingDB_18026.frags.mol2
83. bdb_2BKT_RPF_sim.txt
84. 2BKT-results_BindingDB_18030.mol2
85. 2BKT_ligand0.mol2
86. BindingDB_50165802.mol2
87. BindingDB_18026.docklog
88. 2BKT-voxthresh-8.pdb
89. 2BKT-results_BindingDB_18022.mol2
90. BindingDB_18025.mol2
91. BindingDB_18027.docklog
92. BindingDB_18022.docklog
93. BindingDB_18027.frags.mol2
94. frag1.mol2
95. 2BKT.csv
96. BindingDB_18023.mol2
97. 2BKT-results_BindingDB_18027.mol2