Full input and output files for computationally docked structures of congeneric ligands similar to BDBM14649=43A in crystal structure 2AYP

1. 2AYP-results_BindingDB_14650.mol2
2. BindingDB_14669.docklog
3. BindingDB_14662.mol2
4. BindingDB_14667.mol2
5. prot-log.txt
6. 2AYP.pdb
7. BindingDB_14658.frags.mol2
8. 2AYP-voxthresh-6.pdb
9. 43A.sdf
10. BindingDB_14654.docklog.results_tab.log
11. BindingDB_14653.docklog.mol2
12. 2AYP-results.mol2
13. BindingDB_14668.docklog.results_tab.log
14. BindingDB_14651.docklog
15. 2AYP-voxthresh-7.pdb
16. 2AYP-results_BindingDB_14654.mol2
17. BindingDB_14652.docklog.results_tab.log
18. BindingDB_14645.docklog
19. 2AYP-voxthresh-4.pdb
20. 2AYP-voxthresh-5.pdb
21. BindingDB_50325283.docklog.results_tab.log
22. BindingDB_14667.frags.mol2
23. 2AYP_congener-log.txt
24. BindingDB_14666.mol2
25. 2AYP-results_BindingDB_14668.mol2
26. BindingDB_14662.frags.mol2
27. BindingDB_14666.frags.mol2
28. BindingDB_14645.docklog.mol2
29. BindingDB_14649.frags.mol2
30. BindingDB_14654.docklog
31. BindingDB_50325283.docklog.mol2
32. 2AYP.opt-protein-trim.mol2
33. 2AYP-voxthresh-8.pdb
34. 2AYP.mol2
35. BindingDB_14660.docklog
36. 2AYP-voxthresh-2.pdb
37. BindingDB_14669.frags.mol2
38. 2AYP-voxthresh-9.pdb
39. 2AYP-results_BindingDB_14662.mol2
40. log-results.mol2
41. BindingDB_14650.docklog
42. BindingDB_14654.mol2
43. BindingDB_14658.docklog
44. BindingDB_14653.mol2
45. 2AYP-results_tab.log
46. BindingDB_14668.docklog.mol2
47. BindingDB_14662.docklog
48. BindingDB_50325283.frags.mol2
49. BindingDB_14650.frags.mol2
50. 2AYP-marked-vox.pdb
51. BindingDB_14666.docklog
52. 2AYP-results_BindingDB_14665.mol2
53. BindingDB_14667.docklog
54. 2AYP_sdf.mol2
55. BindingDB_14649.docklog
56. BindingDB_14645.frags.mol2
57. log-results_tab.log
58. BindingDB_14658.docklog.mol2
59. 2AYP.csv
60. BindingDB_14665.docklog
61. BindingDB_14669.mol2
62. BindingDB_14652.mol2
63. protein_sampling.mol2
64. BindingDB_14649.docklog.results_tab.log
65. BindingDB_14652.docklog
66. BindingDB_14653.frags.mol2
67. BindingDB_14662.docklog.mol2
68. 2AYP_ligand0.mol2
69. 2AYP_congener.mol2
70. BindingDB_14662.docklog.results_tab.log
71. BindingDB_14652.frags.mol2
72. BindingDB_14661.frags.mol2
73. log
74. BindingDB_14668.docklog
75. BindingDB_14652.docklog.mol2
76. ligand_sampling.mol2
77. BindingDB_14653.docklog
78. BindingDB_14665.frags.mol2
79. BindingDB_14658.docklog.results_tab.log
80. 2AYP-voxthresh-1.pdb
81. 2AYP-protomol.mol2
82. 2AYP-results_BindingDB_14667.mol2
83. BindingDB_14660.frags.mol2
84. 2AYP-results_BindingDB_14669.mol2
85. BindingDB_14658.mol2
86. BindingDB_14668.frags.mol2
87. BindingDB_14649.docklog.mol2
88. BindingDB_14650.docklog.results_tab.log
89. BindingDB_14667.docklog.mol2
90. scale
91. bdb_2AYP_43A_3D.sdf
92. BindingDB_14650.mol2
93. frag2.mol2
94. BindingDB_14660.docklog.mol2
95. 2AYP-results_BindingDB_14661.mol2
96. BindingDB_14651.docklog.results_tab.log
97. BindingDB_14665.docklog.mol2
98. prot.mol2
99. BindingDB_14665.mol2
100. BindingDB_14645.mol2
101. BindingDB_14661.docklog
102. 2AYP-results_BindingDB_14649.mol2
103. 2AYP-results_BindingDB_14660.mol2
104. BindingDB_14651.frags.mol2
105. BindingDB_14667.docklog.results_tab.log
106. 2AYP-voxthresh-10.pdb
107. BindingDB_50325283.docklog
108. BindingDB_14661.mol2
109. BindingDB_14669.docklog.results_tab.log
110. UnDockable.list
111. BindingDB_14653.docklog.results_tab.log
112. BindingDB_14651.docklog.mol2
113. 2AYP_sdf-log.txt
114. BindingDB_14668.mol2
115. 2AYP.Targets
116. 2AYP-results_BindingDB_14666.mol2
117. BindingDB_14666.docklog.mol2
118. BindingDB_14651.mol2
119. BindingDB_14654.docklog.mol2
120. BindingDB_14666.docklog.results_tab.log
121. 2AYP-marked-protein.pdb
122. 2AYP-voxthresh-0.pdb
123. BindingDB_14669.docklog.mol2
124. BindingDB_14660.docklog.results_tab.log
125. BindingDB_14661.docklog.mol2
126. BindingDB_14645.docklog.results_tab.log
127. 2AYP-results_BindingDB_14652.mol2
128. BindingDB_14650.docklog.mol2
129. 2AYP-voxthresh-3.pdb
130. BindingDB_14654.frags.mol2
131. BindingDB_14660.mol2
132. BindingDB_14665.docklog.results_tab.log
133. frag1.mol2
134. bdb_2AYP_43A_sim.txt
135. BindingDB_50325283.mol2
136. BindingDB_14649.mol2
137. BindingDB_14661.docklog.results_tab.log