Full input and output files for computationally docked structures of congeneric ligands similar to BDBM50107745=FNP in crystal structure 1KAK

1. BindingDB_50075302.docklog
2. BindingDB_50070000.docklog.results_tab.log
3. BindingDB_50102186.frags.mol2
4. BindingDB_50070000.docklog
5. BindingDB_50070003.mol2
6. BindingDB_50075312.docklog.mol2
7. 1KAK-voxthresh-3.pdb
8. BindingDB_50069998.mol2
9. prot-log.txt
10. 1KAK-results_BindingDB_50107745.mol2
11. 1KAK-voxthresh-6.pdb
12. bdb_1KAK_FNP_3D.sdf
13. 1KAK-voxthresh-2.pdb
14. 1KAK_congener-log.txt
15. BindingDB_50075313.docklog
16. 1KAK-results_BindingDB_50069998.mol2
17. BindingDB_50075312.docklog.results_tab.log
18. 1KAK_congener.mol2
19. BindingDB_50070004.docklog.mol2
20. BindingDB_50075308.docklog
21. 1KAK-protomol.mol2
22. BindingDB_50239833.docklog
23. BindingDB_50102186.docklog.results_tab.log
24. BindingDB_50107745.mol2
25. BindingDB_50107745.docklog
26. BindingDB_50069997.docklog.results_tab.log
27. 1KAK-results_BindingDB_50070000.mol2
28. BindingDB_50070002.mol2
29. 1KAK-voxthresh-0.pdb
30. BindingDB_50239833.docklog.mol2
31. BindingDB_50107745.docklog.results_tab.log
32. BindingDB_50069998.docklog.results_tab.log
33. BindingDB_50070003.frags.mol2
34. BindingDB_50069998.frags.mol2
35. log-results.mol2
36. BindingDB_50102186.mol2
37. 1KAK_sdf-log.txt
38. 1KAK-results_BindingDB_50070003.mol2
39. 1KAK-marked-vox.pdb
40. 1KAK_water.mol2
41. BindingDB_50075302.docklog.results_tab.log
42. BindingDB_50070001.docklog.results_tab.log
43. BindingDB_50070000.frags.mol2
44. 1KAK-results_BindingDB_50070002.mol2
45. 1KAK-voxthresh-8.pdb
46. BindingDB_50075302.docklog.mol2
47. BindingDB_50070002.docklog.mol2
48. BindingDB_50070000.docklog.mol2
49. FNP.sdf
50. 1KAK_ligand0.mol2
51. BindingDB_50069998.docklog
52. BindingDB_50103227.docklog.mol2
53. BindingDB_50075312.frags.mol2
54. log-results_tab.log
55. BindingDB_50070001.frags.mol2
56. BindingDB_50069997.mol2
57. BindingDB_50069998.docklog.mol2
58. BindingDB_50070002.docklog
59. protein_sampling.mol2
60. BindingDB_50070004.frags.mol2
61. BindingDB_50103227.frags.mol2
62. BindingDB_50075308.docklog.mol2
63. BindingDB_50239833.frags.mol2
64. 1KAK-voxthresh-4.pdb
65. 1KAK-results_BindingDB_50070001.mol2
66. BindingDB_50069997.docklog.mol2
67. BindingDB_50102186.docklog.mol2
68. 1KAK-voxthresh-1.pdb
69. BindingDB_50075312.mol2
70. log
71. 1KAK-marked-protein.pdb
72. BindingDB_50239833.mol2
73. 1KAK.mol2
74. 1KAK-voxthresh-9.pdb
75. 1KAK-voxthresh-10.pdb
76. bdb_1KAK_FNP_sim.txt
77. BindingDB_50103227.docklog.results_tab.log
78. 1KAK_sdf.mol2
79. 1KAK.Targets
80. 1KAK-results.mol2
81. scale
82. BindingDB_50069997.docklog
83. BindingDB_50102186.docklog
84. frag2.mol2
85. prot.mol2
86. BindingDB_50075302.frags.mol2
87. BindingDB_50070001.docklog.mol2
88. 1KAK-voxthresh-5.pdb
89. BindingDB_50070002.docklog.results_tab.log
90. BindingDB_50075313.mol2
91. BindingDB_50070001.mol2
92. BindingDB_50070003.docklog.results_tab.log
93. 1KAK.opt-protein-trim.mol2
94. BindingDB_50075313.docklog.mol2
95. BindingDB_50070004.docklog.results_tab.log
96. BindingDB_50075312.docklog
97. BindingDB_50239833.docklog.results_tab.log
98. BindingDB_50107745.frags.mol2
99. BindingDB_50075308.docklog.results_tab.log
100. BindingDB_50107745.docklog.mol2
101. BindingDB_50069997.frags.mol2
102. BindingDB_50103227.mol2
103. BindingDB_50070004.docklog
104. BindingDB_50075308.frags.mol2
105. 1KAK.pdb
106. 1KAK.csv
107. BindingDB_50075308.mol2
108. BindingDB_50070003.docklog
109. BindingDB_50075302.mol2
110. BindingDB_50070002.frags.mol2
111. BindingDB_50075313.docklog.results_tab.log
112. 1KAK-results_tab.log
113. 1KAK-voxthresh-7.pdb
114. 1KAK-results_BindingDB_50102186.mol2
115. BindingDB_50070004.mol2
116. BindingDB_50075313.frags.mol2
117. BindingDB_50070003.docklog.mol2
118. BindingDB_50103227.docklog
119. 1KAK-results_BindingDB_50103227.mol2
120. frag1.mol2
121. BindingDB_50070001.docklog
122. BindingDB_50070000.mol2