Full input and output files for computationally docked structures of congeneric ligands similar to BDBM50243333=YDI in crystal structure 2YDI

1. 2YDI_sdf-log.txt
2. 2YDI-results_BindingDB_50243333.mol2
3. 2YDI-results_BindingDB_50243368.mol2
4. BindingDB_50243372.docklog.results_tab.log
5. prot-log.txt
6. BindingDB_50243368.docklog.results_tab.log
7. BindingDB_50243531.mol2
8. BindingDB_50243530.mol2
9. 2YDI.mol2
10. 2YDI-voxthresh-10.pdb
11. 2YDI-voxthresh-4.pdb
12. BindingDB_50243420.docklog.results_tab.log
13. BindingDB_50243372.frags.mol2
14. 2YDI.opt-protein-trim.mol2
15. BindingDB_50243371.docklog
16. BindingDB_50243473.docklog.mol2
17. BindingDB_50243369.mol2
18. BindingDB_50243472.docklog
19. 2YDI-voxthresh-8.pdb
20. 2YDI_sdf.mol2
21. 2YDI.Targets
22. 2YDI-voxthresh-0.pdb
23. BindingDB_50243424.docklog
24. 2YDI-voxthresh-2.pdb
25. bdb_2YDI_YDI_3D.sdf
26. BindingDB_50243472.docklog.results_tab.log
27. 2YDI.csv
28. BindingDB_50243531.docklog
29. YDI.sdf
30. BindingDB_50243333.docklog
31. 2YDI-results_BindingDB_50243473.mol2
32. BindingDB_50243370.docklog.results_tab.log
33. 2YDI_ligand0.mol2
34. BindingDB_50243530.frags.mol2
35. 2YDI-results_BindingDB_50243372.mol2
36. 2YDI-marked-vox.pdb
37. BindingDB_50243424.docklog.results_tab.log
38. BindingDB_50243530.docklog.mol2
39. BindingDB_50243420.docklog
40. log-results.mol2
41. 2YDI-voxthresh-7.pdb
42. BindingDB_50243333.frags.mol2
43. BindingDB_50243333.mol2
44. BindingDB_50243371.mol2
45. 2YDI-results_BindingDB_50243420.mol2
46. BindingDB_50243420.frags.mol2
47. BindingDB_50243372.mol2
48. BindingDB_50243531.docklog.mol2
49. BindingDB_50243368.mol2
50. BindingDB_50243332.mol2
51. BindingDB_50243333.docklog.mol2
52. 2YDI_water.mol2
53. BindingDB_50243369.docklog.mol2
54. log-results_tab.log
55. BindingDB_50243370.docklog
56. BindingDB_50243472.frags.mol2
57. BindingDB_50243424.frags.mol2
58. 2YDI-results_tab.log
59. BindingDB_50243369.docklog.results_tab.log
60. protein_sampling.mol2
61. BindingDB_50243334.mol2
62. BindingDB_50243424.docklog.mol2
63. 2YDI-results_BindingDB_50243472.mol2
64. log
65. BindingDB_50243334.docklog.mol2
66. BindingDB_50243368.frags.mol2
67. BindingDB_50243334.docklog
68. BindingDB_50243372.docklog
69. BindingDB_50243370.mol2
70. BindingDB_50243332.docklog.mol2
71. 2YDI-results_BindingDB_50243334.mol2
72. BindingDB_50243473.docklog.results_tab.log
73. BindingDB_50243368.docklog.mol2
74. 2YDI-voxthresh-3.pdb
75. 2YDI-results_BindingDB_50243369.mol2
76. BindingDB_50243419.docklog.results_tab.log
77. 2YDI-voxthresh-6.pdb
78. 2YDI.pdb
79. 2YDI-results_BindingDB_50243419.mol2
80. BindingDB_50243473.frags.mol2
81. BindingDB_50243369.docklog
82. bdb_2YDI_YDI_sim.txt
83. 2YDI-results_BindingDB_50243371.mol2
84. 2YDI-voxthresh-1.pdb
85. BindingDB_50243371.frags.mol2
86. BindingDB_50243334.docklog.results_tab.log
87. BindingDB_50243372.docklog.mol2
88. scale
89. frag2.mol2
90. BindingDB_50243369.frags.mol2
91. BindingDB_50243371.docklog.mol2
92. prot.mol2
93. BindingDB_50243424.mol2
94. BindingDB_50243371.docklog.results_tab.log
95. BindingDB_50243472.docklog.mol2
96. BindingDB_50243332.frags.mol2
97. 2YDI_congener.mol2
98. 2YDI-results.mol2
99. 2YDI-results_BindingDB_50243332.mol2
100. 2YDI_congener-log.txt
101. BindingDB_50243473.docklog
102. BindingDB_50243370.frags.mol2
103. 2YDI-marked-protein.pdb
104. BindingDB_50243370.docklog.mol2
105. BindingDB_50243368.docklog
106. BindingDB_50243333.docklog.results_tab.log
107. BindingDB_50243419.mol2
108. 2YDI-protomol.mol2
109. BindingDB_50243531.frags.mol2
110. BindingDB_50243530.docklog
111. BindingDB_50243420.mol2
112. 2YDI-voxthresh-9.pdb
113. 2YDI-results_BindingDB_50243370.mol2
114. BindingDB_50243334.frags.mol2
115. 2YDI-voxthresh-5.pdb
116. BindingDB_50243531.docklog.results_tab.log
117. BindingDB_50243420.docklog.mol2
118. BindingDB_50243473.mol2
119. BindingDB_50243332.docklog
120. 2YDI-results_BindingDB_50243424.mol2
121. 2YDI_ligand1.mol2
122. BindingDB_50243472.mol2
123. BindingDB_50243419.frags.mol2
124. BindingDB_50243419.docklog
125. 2YDI-results_BindingDB_50243530.mol2
126. BindingDB_50243530.docklog.results_tab.log
127. frag1.mol2
128. BindingDB_50243419.docklog.mol2
129. BindingDB_50243332.docklog.results_tab.log