Full input and output files for computationally docked structures of congeneric ligands similar to BDBM50329608=55V in crystal structure 3QLY

1. BindingDB_50298801.frags.mol2
2. 3QLY-results_BindingDB_25818.mol2
3. 3QLY-results_BindingDB_18491.mol2
4. 3QLY-results_BindingDB_18496.mol2
5. 3QLY-voxthresh-7.pdb
6. 3QLY-results_BindingDB_50298809.mol2
7. 3QLY-protomol.mol2
8. BindingDB_26518.docklog
9. BindingDB_50298800.docklog
10. 3QLY.pdb
11. prot-log.txt
12. 3QLY-voxthresh-1.pdb
13. BindingDB_18496.docklog
14. BindingDB_25818.docklog.results_tab.log
15. 3QLY-results_BindingDB_50298802.mol2
16. BindingDB_50298801.docklog
17. 3QLY-results_BindingDB_50298800.mol2
18. BindingDB_18491.docklog
19. 3QLY_water.mol2
20. 3QLY-voxthresh-5.pdb
21. BindingDB_50298803.docklog.mol2
22. BindingDB_18491.docklog.results_tab.log
23. BindingDB_18490.docklog.mol2
24. BindingDB_50329608.mol2
25. BindingDB_18491.docklog.mol2
26. 3QLY.mol2
27. BindingDB_26518.docklog.mol2
28. 3QLY-results_BindingDB_50298803.mol2
29. BindingDB_18496.docklog.results_tab.log
30. BindingDB_50329608.frags.mol2
31. BindingDB_25818.docklog.mol2
32. log-results.mol2
33. 3QLY-voxthresh-6.pdb
34. BindingDB_18492.docklog
35. BindingDB_18490.frags.mol2
36. BindingDB_50298803.mol2
37. 3QLY_congener.mol2
38. BindingDB_26518.mol2
39. 3QLY-voxthresh-3.pdb
40. 3QLY-voxthresh-8.pdb
41. 3QLY_congener-log.txt
42. BindingDB_25820.docklog
43. BindingDB_50298801.mol2
44. BindingDB_18494.docklog
45. 3QLY.opt-protein-trim.mol2
46. 3QLY-voxthresh-0.pdb
47. BindingDB_50298802.docklog
48. 3QLY-voxthresh-4.pdb
49. log-results_tab.log
50. BindingDB_18491.frags.mol2
51. 3QLY-results_tab.log
52. 3QLY-results_BindingDB_50298801.mol2
53. 55V.sdf
54. 3QLY-marked-protein.pdb
55. 3QLY-results_BindingDB_18494.mol2
56. BindingDB_18489.docklog
57. protein_sampling.mol2
58. BindingDB_50298802.mol2
59. BindingDB_25818.docklog
60. BindingDB_50298802.docklog.results_tab.log
61. BindingDB_50329608.docklog.mol2
62. BindingDB_18492.frags.mol2
63. BindingDB_18490.docklog.results_tab.log
64. BindingDB_18496.mol2
65. BindingDB_50298809.docklog
66. BindingDB_50298809.docklog.mol2
67. BindingDB_18489.docklog.mol2
68. BindingDB_25818.frags.mol2
69. BindingDB_50298809.frags.mol2
70. BindingDB_25820.docklog.results_tab.log
71. log
72. BindingDB_18494.frags.mol2
73. ligand_sampling.mol2
74. BindingDB_50298803.docklog.results_tab.log
75. 3QLY_ligand1.mol2
76. BindingDB_26518.frags.mol2
77. 3QLY_sdf.mol2
78. BindingDB_18489.frags.mol2
79. BindingDB_25820.docklog.mol2
80. BindingDB_18490.docklog
81. BindingDB_50298802.docklog.mol2
82. BindingDB_50298803.frags.mol2
83. BindingDB_50298809.docklog.results_tab.log
84. 3QLY.csv
85. BindingDB_18494.mol2
86. BindingDB_26518.docklog.results_tab.log
87. scale
88. frag2.mol2
89. BindingDB_50329608.docklog
90. 3QLY_sdf-log.txt
91. prot.mol2
92. BindingDB_18489.docklog.results_tab.log
93. BindingDB_25818.mol2
94. BindingDB_18494.docklog.results_tab.log
95. BindingDB_25819.mol2
96. BindingDB_50298800.frags.mol2
97. BindingDB_50298809.mol2
98. BindingDB_18496.docklog.mol2
99. 3QLY-voxthresh-9.pdb
100. BindingDB_18494.docklog.mol2
101. BindingDB_18492.docklog.mol2
102. 3QLY-results.mol2
103. 3QLY-results_BindingDB_18490.mol2
104. BindingDB_18489.mol2
105. 3QLY_ligand0.mol2
106. UnDockable.list
107. BindingDB_50298800.docklog.mol2
108. BindingDB_18491.mol2
109. BindingDB_25820.mol2
110. BindingDB_25820.frags.mol2
111. bdb_3QLY_55V_3D.sdf
112. BindingDB_18496.frags.mol2
113. BindingDB_18490.mol2
114. 3QLY-marked-vox.pdb
115. 3QLY-results_BindingDB_18489.mol2
116. BindingDB_25819.docklog.results_tab.log
117. BindingDB_50298801.docklog.mol2
118. 3QLY-voxthresh-2.pdb
119. BindingDB_50298801.docklog.results_tab.log
120. BindingDB_50329608.docklog.results_tab.log
121. BindingDB_50298802.frags.mol2
122. BindingDB_25819.docklog.mol2
123. 3QLY.Targets
124. BindingDB_25819.frags.mol2
125. BindingDB_50298803.docklog
126. BindingDB_25819.docklog
127. BindingDB_18492.mol2
128. 3QLY-results_BindingDB_18492.mol2
129. BindingDB_50298800.docklog.results_tab.log
130. frag1.mol2
131. 3QLY-results_BindingDB_25820.mol2
132. bdb_3QLY_55V_sim.txt
133. BindingDB_50298800.mol2
134. 3QLY-results_BindingDB_50329608.mol2
135. BindingDB_18492.docklog.results_tab.log