Full input and output files for computationally docked structures of congeneric ligands similar to BDBM50186267=UMP in crystal structure 1HVY

1. BindingDB_50023642.docklog.mol2
2. BindingDB_50028376.mol2
3. BindingDB_50023647.frags.mol2
4. BindingDB_50023644.docklog
5. prot-log.txt
6. 1HVY_congener-log.txt
7. BindingDB_50023637.docklog
8. 1HVY.Targets
9. BindingDB_50028376.frags.mol2
10. 1HVY-protomol.mol2
11. BindingDB_50085615.docklog.results_tab.log
12. 1HVY-voxthresh-3.pdb
13. 1HVY_ligand6.mol2
14. 1HVY-voxthresh-10.pdb
15. BindingDB_50028376.docklog.results_tab.log
16. BindingDB_50028372.docklog.results_tab.log
17. 1HVY-results_BindingDB_50023644.mol2
18. BindingDB_50028378.frags.mol2
19. BindingDB_50028377.mol2
20. BindingDB_50023644.mol2
21. 1HVY_sdf.mol2
22. BindingDB_50085615.docklog.mol2
23. BindingDB_50028377.docklog
24. 1HVY-voxthresh-8.pdb
25. BindingDB_50023645.docklog
26. BindingDB_50023642.docklog
27. 1HVY_ligand4.mol2
28. BindingDB_50085615.docklog
29. 1HVY-voxthresh-7.pdb
30. 1HVY_ligand1.mol2
31. 1HVY_ligand0.mol2
32. BindingDB_50028378.docklog.results_tab.log
33. 1HVY-marked-vox.pdb
34. BindingDB_50023645.docklog.results_tab.log
35. log-results.mol2
36. BindingDB_50023637.frags.mol2
37. BindingDB_50028372.docklog
38. BindingDB_50028377.docklog.mol2
39. bdb_1HVY_UMP_sim.txt
40. BindingDB_50023644.frags.mol2
41. BindingDB_50028108.mol2
42. 1HVY_water.mol2
43. BindingDB_50028378.docklog.mol2
44. 1HVY.pdb
45. BindingDB_50028108.docklog.results_tab.log
46. BindingDB_50027310.frags.mol2
47. BindingDB_50028108.frags.mol2
48. BindingDB_50027310.docklog.mol2
49. BindingDB_50023647.docklog.results_tab.log
50. 1HVY-results_BindingDB_50028108.mol2
51. BindingDB_50027310.mol2
52. BindingDB_50023642.frags.mol2
53. BindingDB_50028372.docklog.mol2
54. log-results_tab.log
55. BindingDB_50028108.docklog
56. BindingDB_50027310.docklog.results_tab.log
57. BindingDB_50028374.docklog.mol2
58. BindingDB_50028376.docklog
59. BindingDB_50023647.mol2
60. 1HVY_ligand2.mol2
61. protein_sampling.mol2
62. BindingDB_50028378.mol2
63. BindingDB_50028374.docklog.results_tab.log
64. 1HVY-results_tab.log
65. BindingDB_50023645.frags.mol2
66. 1HVY-results.mol2
67. 1HVY_ligand7.mol2
68. 1HVY-voxthresh-4.pdb
69. log
70. BindingDB_50023637.docklog.mol2
71. BindingDB_50028374.frags.mol2
72. ligand_sampling.mol2
73. BindingDB_50028376.docklog.mol2
74. BindingDB_50023647.docklog.mol2
75. 1HVY-voxthresh-5.pdb
76. BindingDB_50023645.mol2
77. 1HVY_congener.mol2
78. bdb_1HVY_UMP_3D.sdf
79. scale
80. 1HVY_ligand3.mol2
81. frag2.mol2
82. BindingDB_50028377.frags.mol2
83. 1HVY.csv
84. BindingDB_50028108.docklog.mol2
85. BindingDB_50085615.mol2
86. prot.mol2
87. 1HVY-voxthresh-2.pdb
88. 1HVY-results_BindingDB_50023645.mol2
89. 1HVY_ligand5.mol2
90. BindingDB_50023642.docklog.results_tab.log
91. 1HVY.opt-protein-trim.mol2
92. BindingDB_50028372.mol2
93. BindingDB_50027310.docklog
94. BindingDB_50023644.docklog.mol2
95. 1HVY.mol2
96. BindingDB_50023637.mol2
97. BindingDB_50028374.mol2
98. BindingDB_50023642.mol2
99. BindingDB_50085615.frags.mol2
100. 1HVY-voxthresh-1.pdb
101. UMP.sdf
102. BindingDB_50023645.docklog.mol2
103. 1HVY-results_BindingDB_50023647.mol2
104. BindingDB_50023644.docklog.results_tab.log
105. 1HVY-results_BindingDB_50023642.mol2
106. BindingDB_50023647.docklog
107. 1HVY-voxthresh-9.pdb
108. 1HVY_sdf-log.txt
109. 1HVY-marked-protein.pdb
110. BindingDB_50023637.docklog.results_tab.log
111. 1HVY-results_BindingDB_50023637.mol2
112. BindingDB_50028374.docklog
113. BindingDB_50028372.frags.mol2
114. 1HVY-voxthresh-0.pdb
115. BindingDB_50028378.docklog
116. frag1.mol2
117. BindingDB_50028377.docklog.results_tab.log
118. 1HVY-voxthresh-6.pdb