Full input and output files for computationally docked structures of congeneric ligands similar to BDBM18795=D16 in crystal structure 1HVY

1. BindingDB_50415833.docklog
2. BindingDB_50040860.mol2
3. BindingDB_50415834.frags.mol2
4. prot-log.txt
5. 1HVY_congener-log.txt
6. BindingDB_50415832.mol2
7. BindingDB_50415837.docklog
8. 1HVY.Targets
9. BindingDB_50415835.mol2
10. BindingDB_50158426.docklog.mol2
11. BindingDB_50415834.mol2
12. 1HVY-protomol.mol2
13. 1HVY-results_BindingDB_50415833.mol2
14. BindingDB_50415846.docklog.results_tab.log
15. BindingDB_50158426.frags.mol2
16. BindingDB_50415849.mol2
17. BindingDB_50415849.frags.mol2
18. 1HVY-voxthresh-3.pdb
19. 1HVY_ligand6.mol2
20. BindingDB_50415836.docklog.results_tab.log
21. 1HVY-results_BindingDB_50415832.mol2
22. BindingDB_50012524.docklog
23. BindingDB_50415839.frags.mol2
24. BindingDB_50415834.docklog
25. BindingDB_50012524.docklog.mol2
26. bdb_1HVY_D16_sim.txt
27. 1HVY_sdf.mol2
28. BindingDB_50415839.mol2
29. BindingDB_50415842.docklog.results_tab.log
30. BindingDB_50415842.docklog.mol2
31. 1HVY-results_BindingDB_50415839.mol2
32. BindingDB_50415832.docklog.results_tab.log
33. BindingDB_50158426.docklog.results_tab.log
34. 1HVY-voxthresh-8.pdb
35. 1HVY_ligand4.mol2
36. BindingDB_50415846.mol2
37. 1HVY-voxthresh-7.pdb
38. 1HVY_ligand1.mol2
39. 1HVY_ligand0.mol2
40. BindingDB_50158426.mol2
41. BindingDB_50415846.docklog.mol2
42. 1HVY-marked-vox.pdb
43. log-results.mol2
44. 1HVY_water.mol2
45. 1HVY.pdb
46. BindingDB_50415846.docklog
47. BindingDB_50415837.docklog.results_tab.log
48. BindingDB_50415838.docklog
49. 1HVY-results_BindingDB_50158426.mol2
50. BindingDB_50040860.docklog.mol2
51. 1HVY-results_BindingDB_50415834.mol2
52. BindingDB_50415838.docklog.results_tab.log
53. BindingDB_50158426.docklog
54. BindingDB_50415842.frags.mol2
55. log-results_tab.log
56. BindingDB_50040860.docklog.results_tab.log
57. BindingDB_50415842.docklog
58. BindingDB_50415832.docklog
59. 1HVY_ligand2.mol2
60. BindingDB_50040860.docklog
61. protein_sampling.mol2
62. BindingDB_50415837.mol2
63. 1HVY-results_tab.log
64. BindingDB_50415836.docklog
65. 1HVY-results.mol2
66. BindingDB_50415835.docklog
67. 1HVY_ligand7.mol2
68. BindingDB_50415842.mol2
69. BindingDB_50415833.docklog.mol2
70. 1HVY-voxthresh-4.pdb
71. log
72. ligand_sampling.mol2
73. BindingDB_50415837.frags.mol2
74. BindingDB_50012524.docklog.results_tab.log
75. BindingDB_50012524.frags.mol2
76. BindingDB_50415832.frags.mol2
77. BindingDB_50415835.docklog.results_tab.log
78. BindingDB_50415849.docklog.mol2
79. 1HVY-voxthresh-5.pdb
80. 1HVY-results_BindingDB_50415835.mol2
81. BindingDB_50415846.frags.mol2
82. BindingDB_50415836.mol2
83. BindingDB_50415834.docklog.results_tab.log
84. 1HVY-results_BindingDB_50415836.mol2
85. 1HVY_congener.mol2
86. 1HVY-results_BindingDB_50012524.mol2
87. scale
88. BindingDB_50415833.frags.mol2
89. BindingDB_50415834.docklog.mol2
90. 1HVY_ligand3.mol2
91. frag2.mol2
92. 1HVY.csv
93. prot.mol2
94. 1HVY-voxthresh-2.pdb
95. D16.sdf
96. 1HVY_ligand5.mol2
97. BindingDB_50415838.frags.mol2
98. bdb_1HVY_D16_3D.sdf
99. BindingDB_50012524.mol2
100. BindingDB_50415836.frags.mol2
101. 1HVY-results_BindingDB_50040860.mol2
102. 1HVY-results_BindingDB_50415838.mol2
103. 1HVY.opt-protein-trim.mol2
104. BindingDB_50415836.docklog.mol2
105. 1HVY.mol2
106. 1HVY-voxthresh-1.pdb
107. 1HVY-results_BindingDB_50415842.mol2
108. BindingDB_50415835.frags.mol2
109. BindingDB_50415835.docklog.mol2
110. BindingDB_50415838.mol2
111. BindingDB_50415837.docklog.mol2
112. BindingDB_50415838.docklog.mol2
113. 1HVY-voxthresh-9.pdb
114. 1HVY_sdf-log.txt
115. 1HVY-marked-protein.pdb
116. BindingDB_50415839.docklog.results_tab.log
117. BindingDB_50415832.docklog.mol2
118. BindingDB_50415833.docklog.results_tab.log
119. BindingDB_50415833.mol2
120. 1HVY-results_BindingDB_50415837.mol2
121. BindingDB_50415839.docklog.mol2
122. BindingDB_50040860.frags.mol2
123. 1HVY-voxthresh-0.pdb
124. BindingDB_50415839.docklog
125. frag1.mol2
126. BindingDB_50415849.docklog
127. BindingDB_50415849.docklog.results_tab.log
128. 1HVY-voxthresh-6.pdb