Full input and output files for computationally docked structures of congeneric ligands similar to BDBM16501=042 in crystal structure 2DC7

1. 2DC7-results_tab.log
2. BindingDB_16501.mol2
3. BindingDB_16497.mol2
4. prot-log.txt
5. BindingDB_16508.docklog.mol2
6. BindingDB_16503.frags.mol2
7. 2DC7-voxthresh-6.pdb
8. 2DC7-results_BindingDB_16505.mol2
9. BindingDB_16511.docklog.mol2
10. 2DC7-voxthresh-10.pdb
11. 2DC7_water.mol2
12. BindingDB_16501.docklog
13. BindingDB_16506.docklog.results_tab.log
14. BindingDB_16506.docklog.mol2
15. BindingDB_16503.docklog.results_tab.log
16. BindingDB_16511.frags.mol2
17. BindingDB_16504.mol2
18. BindingDB_16510.docklog.results_tab.log
19. BindingDB_16505.mol2
20. 2DC7-results_BindingDB_16503.mol2
21. 2DC7-results_BindingDB_16504.mol2
22. 2DC7-voxthresh-8.pdb
23. BindingDB_16503.mol2
24. 2DC7.pdb
25. 2DC7-results_BindingDB_16508.mol2
26. 2DC7.opt-protein-trim.mol2
27. BindingDB_16510.docklog.mol2
28. 2DC7_sdf.mol2
29. BindingDB_16510.docklog
30. 2DC7-marked-protein.pdb
31. log-results.mol2
32. BindingDB_16500.docklog
33. BindingDB_16497.docklog
34. BindingDB_16505.docklog
35. 2DC7-results_BindingDB_16502.mol2
36. BindingDB_16509.docklog.mol2
37. BindingDB_16503.docklog.mol2
38. 2DC7-voxthresh-1.pdb
39. BindingDB_16508.docklog.results_tab.log
40. 2DC7-voxthresh-7.pdb
41. BindingDB_16502.docklog.results_tab.log
42. 2DC7-results_BindingDB_16501.mol2
43. BindingDB_16508.docklog
44. BindingDB_16497.docklog.results_tab.log
45. BindingDB_16501.docklog.mol2
46. BindingDB_16499.docklog.results_tab.log
47. 2DC7_ligand1.mol2
48. BindingDB_16504.docklog.results_tab.log
49. 2DC7.csv
50. 2DC7-results_BindingDB_16499.mol2
51. log-results_tab.log
52. BindingDB_16510.frags.mol2
53. BindingDB_16509.mol2
54. BindingDB_16506.mol2
55. protein_sampling.mol2
56. BindingDB_16505.frags.mol2
57. 2DC7_congener.mol2
58. BindingDB_16499.mol2
59. 042.sdf
60. 2DC7-results_BindingDB_16500.mol2
61. BindingDB_16511.mol2
62. BindingDB_16511.docklog.results_tab.log
63. BindingDB_16500.docklog.mol2
64. BindingDB_16497.frags.mol2
65. BindingDB_16508.mol2
66. BindingDB_16509.frags.mol2
67. log
68. 2DC7_ligand2.mol2
69. BindingDB_16500.frags.mol2
70. ligand_sampling.mol2
71. BindingDB_16505.docklog.results_tab.log
72. 2DC7_sdf-log.txt
73. BindingDB_16506.frags.mol2
74. 2DC7-results_BindingDB_16506.mol2
75. 2DC7-voxthresh-3.pdb
76. BindingDB_16502.docklog
77. 2DC7-voxthresh-0.pdb
78. BindingDB_16511.docklog
79. BindingDB_16502.mol2
80. scale
81. frag2.mol2
82. BindingDB_16504.frags.mol2
83. prot.mol2
84. BindingDB_16505.docklog.mol2
85. BindingDB_16504.docklog.mol2
86. BindingDB_16499.frags.mol2
87. 2DC7_ligand0.mol2
88. 2DC7-voxthresh-5.pdb
89. BindingDB_16502.frags.mol2
90. BindingDB_16497.docklog.mol2
91. 2DC7-voxthresh-9.pdb
92. BindingDB_16503.docklog
93. BindingDB_16510.mol2
94. 2DC7-results_BindingDB_16497.mol2
95. BindingDB_16509.docklog.results_tab.log
96. BindingDB_16500.docklog.results_tab.log
97. 2DC7.Targets
98. BindingDB_16506.docklog
99. BindingDB_16501.frags.mol2
100. 2DC7-protomol.mol2
101. 2DC7-voxthresh-2.pdb
102. 2DC7.mol2
103. BindingDB_16501.docklog.results_tab.log
104. 2DC7-voxthresh-4.pdb
105. BindingDB_16504.docklog
106. 2DC7_congener-log.txt
107. 2DC7-marked-vox.pdb
108. 2DC7-results.mol2
109. BindingDB_16499.docklog
110. BindingDB_16500.mol2
111. BindingDB_16499.docklog.mol2
112. BindingDB_16502.docklog.mol2
113. bdb_2DC7_042_3D.sdf
114. BindingDB_16509.docklog
115. frag1.mol2
116. BindingDB_16508.frags.mol2
117. bdb_2DC7_042_sim.txt