Full input and output files for computationally docked structures of congeneric ligands similar to BDBM50351180=Q19 in crystal structure 3SRQ

1. 3SRQ-results_BindingDB_50351185.mol2
2. 3SRQ-voxthresh-10.pdb
3. 3SRQ-voxthresh-1.pdb
4. BindingDB_50351190.docklog.results_tab.log
5. 3SRQ-results_BindingDB_50351187.mol2
6. prot-log.txt
7. 3SRQ-results_BindingDB_50351180.mol2
8. BindingDB_50351195.docklog.mol2
9. BindingDB_50351173.docklog.results_tab.log
10. BindingDB_50351191.docklog
11. BindingDB_50351185.frags.mol2
12. BindingDB_50351186.docklog.results_tab.log
13. BindingDB_50351185.docklog
14. 3SRQ-voxthresh-6.pdb
15. BindingDB_50351179.docklog.results_tab.log
16. 3SRQ-results_BindingDB_50351190.mol2
17. 3SRQ-results_BindingDB_50351173.mol2
18. BindingDB_50351173.docklog
19. BindingDB_50351185.mol2
20. BindingDB_50351181.frags.mol2
21. 3SRQ-marked-protein.pdb
22. 3SRQ-protomol.mol2
23. 3SRQ_water.mol2
24. 3SRQ_congener-log.txt
25. 3SRQ-results_BindingDB_50351181.mol2
26. Q19.sdf
27. BindingDB_50351182.docklog.results_tab.log
28. BindingDB_50351185.docklog.mol2
29. BindingDB_50351193.mol2
30. 3SRQ-voxthresh-2.pdb
31. 3SRQ_ligand1.mol2
32. BindingDB_50351173.docklog.mol2
33. BindingDB_50351186.mol2
34. 3SRQ-voxthresh-3.pdb
35. BindingDB_50351193.frags.mol2
36. BindingDB_50351189.docklog.mol2
37. 3SRQ-voxthresh-7.pdb
38. BindingDB_50351187.frags.mol2
39. log-results.mol2
40. 3SRQ-results_BindingDB_50351182.mol2
41. BindingDB_50351181.mol2
42. BindingDB_50351179.mol2
43. BindingDB_50351190.docklog
44. BindingDB_50351193.docklog.results_tab.log
45. BindingDB_50351184.frags.mol2
46. BindingDB_50351181.docklog.mol2
47. 3SRQ.opt-protein-trim.mol2
48. BindingDB_50351184.docklog.results_tab.log
49. BindingDB_50351191.frags.mol2
50. BindingDB_50351187.docklog
51. BindingDB_50351191.docklog.results_tab.log
52. BindingDB_50351190.frags.mol2
53. bdb_3SRQ_Q19_sim.txt
54. BindingDB_50351192.mol2
55. BindingDB_50351187.mol2
56. BindingDB_50351192.docklog
57. BindingDB_50351192.frags.mol2
58. BindingDB_50351179.docklog
59. BindingDB_50351189.docklog
60. BindingDB_50351184.mol2
61. log-results_tab.log
62. 3SRQ-results_BindingDB_50351191.mol2
63. BindingDB_50351190.docklog.mol2
64. 3SRQ_congener.mol2
65. BindingDB_50351186.frags.mol2
66. BindingDB_50351187.docklog.mol2
67. BindingDB_50351190.mol2
68. BindingDB_50351184.docklog.mol2
69. protein_sampling.mol2
70. BindingDB_50351182.docklog.mol2
71. BindingDB_50351191.docklog.mol2
72. BindingDB_50351182.docklog
73. BindingDB_50351180.docklog
74. 3SRQ-results_BindingDB_50351186.mol2
75. log
76. BindingDB_50351189.mol2
77. BindingDB_50351173.frags.mol2
78. BindingDB_50351173.mol2
79. BindingDB_50351185.docklog.results_tab.log
80. 3SRQ-voxthresh-8.pdb
81. BindingDB_50351195.docklog.results_tab.log
82. BindingDB_50351193.docklog.mol2
83. 3SRQ-marked-vox.pdb
84. BindingDB_50351195.docklog
85. BindingDB_50351180.mol2
86. 3SRQ-voxthresh-0.pdb
87. 3SRQ.Targets
88. BindingDB_50351180.frags.mol2
89. BindingDB_50351179.frags.mol2
90. scale
91. frag2.mol2
92. BindingDB_50351193.docklog
93. 3SRQ-voxthresh-4.pdb
94. prot.mol2
95. BindingDB_50351187.docklog.results_tab.log
96. BindingDB_50351191.mol2
97. BindingDB_50351186.docklog.mol2
98. BindingDB_50351189.docklog.results_tab.log
99. 3SRQ-voxthresh-5.pdb
100. 3SRQ-results.mol2
101. 3SRQ-results_BindingDB_50351189.mol2
102. BindingDB_50351186.docklog
103. BindingDB_50351189.frags.mol2
104. BindingDB_50351180.docklog.mol2
105. BindingDB_50351181.docklog
106. 3SRQ-results_BindingDB_50351192.mol2
107. 3SRQ_sdf-log.txt
108. BindingDB_50351180.docklog.results_tab.log
109. BindingDB_50351192.docklog.mol2
110. 3SRQ-results_BindingDB_50351184.mol2
111. 3SRQ-results_BindingDB_50351179.mol2
112. 3SRQ-results_tab.log
113. BindingDB_50351195.frags.mol2
114. bdb_3SRQ_Q19_3D.sdf
115. 3SRQ_ligand0.mol2
116. BindingDB_50351195.mol2
117. BindingDB_50351182.frags.mol2
118. BindingDB_50351179.docklog.mol2
119. BindingDB_50351182.mol2
120. BindingDB_50351184.docklog
121. BindingDB_50351192.docklog.results_tab.log
122. 3SRQ.csv
123. 3SRQ_sdf.mol2
124. frag1.mol2
125. BindingDB_50351181.docklog.results_tab.log
126. 3SRQ.mol2
127. 3SRQ-voxthresh-9.pdb
128. 3SRQ.pdb