Full input and output files for computationally docked structures of congeneric ligands similar to BDBM16497=59A in crystal structure 2DC8

1. BindingDB_16501.mol2
2. 2DC8-results.mol2
3. BindingDB_16497.mol2
4. prot-log.txt
5. BindingDB_16508.docklog.mol2
6. 2DC8-results_BindingDB_16506.mol2
7. 2DC8-results_BindingDB_16504.mol2
8. 2DC8.opt-protein-trim.mol2
9. BindingDB_16503.frags.mol2
10. BindingDB_16511.docklog.mol2
11. BindingDB_16501.docklog
12. BindingDB_16506.docklog.results_tab.log
13. BindingDB_16506.docklog.mol2
14. BindingDB_16503.docklog.results_tab.log
15. BindingDB_16511.frags.mol2
16. BindingDB_16504.mol2
17. 2DC8_congener.mol2
18. 2DC8_water.mol2
19. 2DC8-voxthresh-7.pdb
20. BindingDB_16510.docklog.results_tab.log
21. 2DC8-voxthresh-9.pdb
22. BindingDB_16503.mol2
23. BindingDB_16510.docklog.mol2
24. 2DC8.csv
25. BindingDB_16510.docklog
26. log-results.mol2
27. BindingDB_16500.docklog
28. BindingDB_16497.docklog
29. bdb_2DC8_59A_sim.txt
30. BindingDB_16509.docklog.mol2
31. BindingDB_16503.docklog.mol2
32. 2DC8-voxthresh-1.pdb
33. BindingDB_16508.docklog.results_tab.log
34. BindingDB_16508.docklog
35. 2DC8-results_BindingDB_16508.mol2
36. BindingDB_16497.docklog.results_tab.log
37. BindingDB_16501.docklog.mol2
38. BindingDB_16499.docklog.results_tab.log
39. BindingDB_16504.docklog.results_tab.log
40. log-results_tab.log
41. BindingDB_16510.frags.mol2
42. BindingDB_16509.mol2
43. BindingDB_16506.mol2
44. 2DC8_ligand2.mol2
45. 2DC8_congener-log.txt
46. bdb_2DC8_59A_3D.sdf
47. protein_sampling.mol2
48. BindingDB_16499.mol2
49. BindingDB_16511.mol2
50. BindingDB_16511.docklog.results_tab.log
51. BindingDB_16500.docklog.mol2
52. BindingDB_16497.frags.mol2
53. 2DC8-voxthresh-5.pdb
54. BindingDB_16508.mol2
55. 2DC8-voxthresh-0.pdb
56. 2DC8-marked-vox.pdb
57. BindingDB_16509.frags.mol2
58. log
59. 2DC8_sdf-log.txt
60. BindingDB_16500.frags.mol2
61. 2DC8_ligand0.mol2
62. BindingDB_16506.frags.mol2
63. 2DC8.pdb
64. 2DC8-results_BindingDB_16497.mol2
65. 2DC8.mol2
66. 2DC8-voxthresh-4.pdb
67. BindingDB_16511.docklog
68. scale
69. frag2.mol2
70. BindingDB_16504.frags.mol2
71. prot.mol2
72. 2DC8-voxthresh-8.pdb
73. 59A.sdf
74. BindingDB_16504.docklog.mol2
75. BindingDB_16499.frags.mol2
76. 2DC8-voxthresh-2.pdb
77. BindingDB_16497.docklog.mol2
78. BindingDB_16503.docklog
79. BindingDB_16510.mol2
80. 2DC8-results_BindingDB_16500.mol2
81. BindingDB_16509.docklog.results_tab.log
82. 2DC8.Targets
83. 2DC8-marked-protein.pdb
84. 2DC8-voxthresh-3.pdb
85. BindingDB_16500.docklog.results_tab.log
86. 2DC8-voxthresh-6.pdb
87. BindingDB_16506.docklog
88. BindingDB_16501.frags.mol2
89. 2DC8_ligand1.mol2
90. 2DC8-results_BindingDB_16499.mol2
91. 2DC8-protomol.mol2
92. 2DC8-results_BindingDB_16503.mol2
93. BindingDB_16501.docklog.results_tab.log
94. 2DC8_sdf.mol2
95. BindingDB_16504.docklog
96. 2DC8-results_BindingDB_16501.mol2
97. BindingDB_16499.docklog
98. BindingDB_16500.mol2
99. 2DC8-voxthresh-10.pdb
100. 2DC8-results_BindingDB_16509.mol2
101. BindingDB_16499.docklog.mol2
102. 2DC8-results_tab.log
103. BindingDB_16509.docklog
104. frag1.mol2
105. BindingDB_16508.frags.mol2