Full input and output files for computationally docked structures of congeneric ligands similar to BDBM15651=665 in crystal structure 2H7L

1. BindingDB_15647.docklog.mol2
2. 2H7L_congener.mol2
3. BindingDB_15678.mol2
4. BindingDB_15663.docklog
5. prot-log.txt
6. BindingDB_15663.docklog.mol2
7. BindingDB_15647.mol2
8. BindingDB_15652.mol2
9. BindingDB_15652.docklog.results_tab.log
10. BindingDB_15663.frags.mol2
11. BindingDB_15705.frags.mol2
12. BindingDB_15656.mol2
13. 2H7L-results_BindingDB_15647.mol2
14. BindingDB_15652.docklog
15. BindingDB_15653.docklog
16. BindingDB_15651.docklog
17. BindingDB_15670.mol2
18. BindingDB_15656.frags.mol2
19. BindingDB_15652.frags.mol2
20. BindingDB_15660.docklog.mol2
21. 2H7L_ligand1.mol2
22. BindingDB_15705.docklog
23. BindingDB_15650.mol2
24. 2H7L-voxthresh-9.pdb
25. log-results.mol2
26. BindingDB_15660.mol2
27. BindingDB_15704.docklog
28. 2H7L-voxthresh-2.pdb
29. 2H7L.pdb
30. BindingDB_15647.docklog.results_tab.log
31. 2H7L-results_BindingDB_15660.mol2
32. BindingDB_15678.docklog
33. BindingDB_15704.frags.mol2
34. 2H7L-results_BindingDB_15656.mol2
35. BindingDB_15653.docklog.results_tab.log
36. 2H7L-voxthresh-3.pdb
37. BindingDB_15670.frags.mol2
38. 2H7L-voxthresh-7.pdb
39. log-results_tab.log
40. BindingDB_15656.docklog
41. BindingDB_15650.frags.mol2
42. 2H7L-results_BindingDB_15652.mol2
43. 2H7L-results_BindingDB_15653.mol2
44. 2H7L_water.mol2
45. protein_sampling.mol2
46. BindingDB_15650.docklog
47. BindingDB_15704.docklog.results_tab.log
48. BindingDB_15656.docklog.results_tab.log
49. 2H7L-voxthresh-4.pdb
50. BindingDB_15704.docklog.mol2
51. 2H7L-results_BindingDB_15650.mol2
52. 2H7L-voxthresh-8.pdb
53. BindingDB_15651.frags.mol2
54. BindingDB_15678.docklog.results_tab.log
55. BindingDB_15660.docklog.results_tab.log
56. BindingDB_15652.docklog.mol2
57. log
58. 2H7L-voxthresh-1.pdb
59. BindingDB_15650.docklog.results_tab.log
60. BindingDB_15647.docklog
61. BindingDB_15705.docklog.results_tab.log
62. 2H7L.opt-protein-trim.mol2
63. 2H7L-marked-vox.pdb
64. BindingDB_15653.mol2
65. 2H7L-results_BindingDB_15651.mol2
66. BindingDB_15703.docklog.results_tab.log
67. 2H7L-voxthresh-6.pdb
68. BindingDB_15683.docklog.results_tab.log
69. BindingDB_15703.docklog
70. BindingDB_15670.docklog.results_tab.log
71. BindingDB_15660.frags.mol2
72. 2H7L-voxthresh-10.pdb
73. BindingDB_15654.docklog.results_tab.log
74. BindingDB_15650.docklog.mol2
75. 2H7L_sdf.mol2
76. 2H7L-voxthresh-5.pdb
77. 2H7L_ligand0.mol2
78. scale
79. 665.sdf
80. BindingDB_15654.frags.mol2
81. frag2.mol2
82. bdb_2H7L_665_sim.txt
83. BindingDB_15683.docklog
84. prot.mol2
85. 2H7L_congener-log.txt
86. BindingDB_15653.docklog.mol2
87. BindingDB_15703.mol2
88. BindingDB_15660.docklog
89. BindingDB_15678.docklog.mol2
90. BindingDB_15663.docklog.results_tab.log
91. BindingDB_15654.mol2
92. bdb_2H7L_665_3D.sdf
93. BindingDB_15651.docklog.mol2
94. BindingDB_15670.docklog
95. BindingDB_15704.mol2
96. 2H7L-marked-protein.pdb
97. BindingDB_15651.docklog.results_tab.log
98. 2H7L-results_BindingDB_15654.mol2
99. BindingDB_15705.docklog.mol2
100. 2H7L-protomol.mol2
101. BindingDB_15651.mol2
102. BindingDB_15678.frags.mol2
103. 2H7L-results_BindingDB_15670.mol2
104. BindingDB_15683.frags.mol2
105. 2H7L_sdf-log.txt
106. BindingDB_15647.frags.mol2
107. 2H7L.csv
108. BindingDB_15703.frags.mol2
109. 2H7L.mol2
110. BindingDB_15663.mol2
111. BindingDB_15703.docklog.mol2
112. BindingDB_15653.frags.mol2
113. 2H7L-voxthresh-0.pdb
114. BindingDB_15683.docklog.mol2
115. BindingDB_15705.mol2
116. BindingDB_15654.docklog
117. BindingDB_15656.docklog.mol2
118. 2H7L-results.mol2
119. 2H7L.Targets
120. BindingDB_15670.docklog.mol2
121. BindingDB_15683.mol2
122. frag1.mol2
123. 2H7L-results_tab.log
124. BindingDB_15654.docklog.mol2