Full input and output files for computationally docked structures of congeneric ligands similar to BDBM50351174=Q27 in crystal structure 3SRW

1. BindingDB_50351177.frags.mol2
2. 3SRW_ligand1.mol2
3. BindingDB_50351190.docklog.results_tab.log
4. BindingDB_50351178.docklog.mol2
5. BindingDB_50351177.mol2
6. prot-log.txt
7. BindingDB_50351195.docklog.mol2
8. BindingDB_50351173.docklog.results_tab.log
9. BindingDB_50298821.docklog.results_tab.log
10. BindingDB_50351196.docklog.results_tab.log
11. 3SRW-results.mol2
12. BindingDB_50351185.frags.mol2
13. bdb_3SRW_Q27_sim.txt
14. BindingDB_50351186.docklog.results_tab.log
15. 3SRW-protomol.mol2
16. BindingDB_50298821.docklog
17. BindingDB_50351185.docklog
18. BindingDB_50351179.docklog.results_tab.log
19. 3SRW.Targets
20. BindingDB_50298821.frags.mol2
21. BindingDB_50351173.docklog
22. 3SRW-results_BindingDB_50351193.mol2
23. 3SRW-voxthresh-2.pdb
24. BindingDB_50351188.docklog.mol2
25. 3SRW.csv
26. BindingDB_50351185.mol2
27. BindingDB_50351188.mol2
28. 3SRW-results_BindingDB_50351177.mol2
29. 3SRW-results_BindingDB_50351176.mol2
30. 3SRW.mol2
31. BindingDB_50351176.mol2
32. BindingDB_50351185.docklog.mol2
33. BindingDB_50351193.mol2
34. 3SRW-results_BindingDB_50351183.mol2
35. 3SRW_ligand0.mol2
36. BindingDB_50351183.mol2
37. 3SRW-results_tab.log
38. BindingDB_50351173.docklog.mol2
39. BindingDB_50351186.mol2
40. BindingDB_50351193.frags.mol2
41. BindingDB_50351183.frags.mol2
42. BindingDB_50351183.docklog.results_tab.log
43. BindingDB_50351196.mol2
44. BindingDB_50351174.frags.mol2
45. BindingDB_50351187.frags.mol2
46. 3SRW-results_BindingDB_50351179.mol2
47. log-results.mol2
48. 3SRW_sdf-log.txt
49. BindingDB_50351179.mol2
50. BindingDB_50351190.docklog
51. BindingDB_50351174.docklog
52. BindingDB_50351193.docklog.results_tab.log
53. BindingDB_50351188.frags.mol2
54. BindingDB_50351187.docklog
55. 3SRW-results_BindingDB_50351185.mol2
56. BindingDB_50351190.frags.mol2
57. BindingDB_50351187.mol2
58. bdb_3SRW_Q27_3D.sdf
59. 3SRW-voxthresh-9.pdb
60. BindingDB_50351174.docklog.results_tab.log
61. 3SRW-voxthresh-5.pdb
62. BindingDB_50351183.docklog.mol2
63. BindingDB_50351179.docklog
64. log-results_tab.log
65. BindingDB_50351190.docklog.mol2
66. BindingDB_50351186.frags.mol2
67. BindingDB_50351178.mol2
68. BindingDB_50351187.docklog.mol2
69. BindingDB_50351190.mol2
70. 3SRW-voxthresh-1.pdb
71. 3SRW_congener.mol2
72. protein_sampling.mol2
73. 3SRW-marked-protein.pdb
74. BindingDB_50351176.frags.mol2
75. log
76. BindingDB_50351173.frags.mol2
77. BindingDB_50351176.docklog
78. BindingDB_50351178.docklog.results_tab.log
79. BindingDB_50351173.mol2
80. BindingDB_50351178.frags.mol2
81. BindingDB_50351185.docklog.results_tab.log
82. 3SRW_congener-log.txt
83. BindingDB_50351195.docklog.results_tab.log
84. BindingDB_50351193.docklog.mol2
85. BindingDB_50351195.docklog
86. 3SRW-voxthresh-6.pdb
87. BindingDB_50351178.docklog
88. BindingDB_50351196.docklog.mol2
89. 3SRW-voxthresh-8.pdb
90. 3SRW-voxthresh-3.pdb
91. Q27.sdf
92. 3SRW-marked-vox.pdb
93. BindingDB_50351188.docklog.results_tab.log
94. BindingDB_50351179.frags.mol2
95. scale
96. 3SRW_water.mol2
97. BindingDB_50298821.mol2
98. frag2.mol2
99. 3SRW-results_BindingDB_50351190.mol2
100. 3SRW.opt-protein-trim.mol2
101. 3SRW-results_BindingDB_50351178.mol2
102. BindingDB_50351193.docklog
103. prot.mol2
104. BindingDB_50351187.docklog.results_tab.log
105. BindingDB_50351174.docklog.mol2
106. BindingDB_50351176.docklog.results_tab.log
107. 3SRW-voxthresh-7.pdb
108. 3SRW.pdb
109. BindingDB_50351186.docklog.mol2
110. BindingDB_50351196.docklog
111. 3SRW_sdf.mol2
112. BindingDB_50351188.docklog
113. BindingDB_50351186.docklog
114. UnDockable.list
115. 3SRW-voxthresh-4.pdb
116. BindingDB_50351196.frags.mol2
117. BindingDB_50351177.docklog.results_tab.log
118. BindingDB_50351176.docklog.mol2
119. 3SRW-results_BindingDB_50351174.mol2
120. BindingDB_50351177.docklog.mol2
121. BindingDB_50351195.frags.mol2
122. 3SRW-results_BindingDB_50351173.mol2
123. BindingDB_50351195.mol2
124. BindingDB_50351179.docklog.mol2
125. BindingDB_50351183.docklog
126. 3SRW-results_BindingDB_50351187.mol2
127. BindingDB_50298821.docklog.mol2
128. BindingDB_50351174.mol2
129. frag1.mol2
130. BindingDB_50351177.docklog
131. 3SRW-voxthresh-0.pdb