Full input and output files for computationally docked structures of congeneric ligands similar to BDBM17982=5IG in crystal structure 2G1Y

1. 2G1Y-voxthresh-0.pdb
2. 2G1Y-marked-protein.pdb
3. BindingDB_17969.docklog
4. 2G1Y-marked-vox.pdb
5. BindingDB_17969.docklog.mol2
6. 2G1Y-protomol.mol2
7. BindingDB_17969.frags.mol2
8. 2G1Y-results.mol2
9. BindingDB_17969.mol2
10. BindingDB_17970.docklog
11. BindingDB_17970.docklog.mol2
12. BindingDB_17970.frags.mol2
13. BindingDB_17970.mol2
14. BindingDB_17971.docklog
15. BindingDB_17971.docklog.mol2
16. 2G1Y-voxthresh-1.pdb
17. 2G1Y-voxthresh-2.pdb
18. 2G1Y-voxthresh-3.pdb
19. 2G1Y-voxthresh-4.pdb
20. 2G1Y.pdb
21. frag1.mol2
22. 2G1Y.opt-protein-trim.mol2
23. 2G1Y_congener-log.txt
24. 2G1Y_congener.mol2
25. 2G1Y_ligand0.mol2
26. 2G1Y_ligand1.mol2
27. 2G1Y_sdf-log.txt
28. 2G1Y_sdf.mol2
29. 2G1Y_water.mol2
30. 5IG.sdf
31. frag2.mol2
32. BindingDB_17971.frags.mol2
33. BindingDB_17971.mol2
34. BindingDB_17972.docklog
35. BindingDB_17972.docklog.mol2
36. BindingDB_17972.frags.mol2
37. BindingDB_17972.mol2
38. BindingDB_17973.docklog
39. BindingDB_17973.docklog.mol2
40. 2G1Y-results_BindingDB_17977.mol2
41. 2G1Y-results_BindingDB_17969.mol2
42. 2G1Y-results_BindingDB_17979.mol2
43. 2G1Y-results_BindingDB_17970.mol2
44. 2G1Y-results_BindingDB_17982.mol2
45. 2G1Y-results_BindingDB_17971.mol2
46. 2G1Y-results_BindingDB_17983.mol2
47. 2G1Y-results_BindingDB_17972.mol2
48. 2G1Y-results_BindingDB_17985.mol2
49. 2G1Y-results_BindingDB_17973.mol2
50. 2G1Y-results_tab.log
51. log
52. 2G1Y-results_BindingDB_17974.mol2
53. 2G1Y-results_BindingDB_17986.mol2
54. 2G1Y-results_BindingDB_17975.mol2
55. 2G1Y.csv
56. BindingDB_17974.mol2
57. 2G1Y-results_BindingDB_17976.mol2
58. 2G1Y-voxthresh-5.pdb
59. BindingDB_17973.frags.mol2
60. 2G1Y-voxthresh-6.pdb
61. BindingDB_17973.mol2
62. 2G1Y-voxthresh-7.pdb
63. BindingDB_17974.docklog
64. 2G1Y-voxthresh-8.pdb
65. BindingDB_17974.docklog.mol2
66. 2G1Y-voxthresh-9.pdb
67. BindingDB_17975.mol2
68. 2G1Y.Targets
69. BindingDB_17976.mol2
70. 2G1Y.mol2
71. BindingDB_17977.mol2
72. BindingDB_17969.docklog.results_tab.log
73. BindingDB_17970.docklog.results_tab.log
74. BindingDB_17971.docklog.results_tab.log
75. BindingDB_17972.docklog.results_tab.log
76. BindingDB_17973.docklog.results_tab.log
77. BindingDB_17974.docklog.results_tab.log
78. BindingDB_17974.frags.mol2
79. BindingDB_17975.docklog
80. BindingDB_17975.docklog.mol2
81. BindingDB_17975.docklog.results_tab.log
82. BindingDB_17975.frags.mol2
83. BindingDB_17976.docklog
84. BindingDB_17976.docklog.mol2
85. BindingDB_17976.docklog.results_tab.log
86. BindingDB_17976.frags.mol2
87. BindingDB_17977.docklog
88. BindingDB_17977.docklog.mol2
89. BindingDB_17977.docklog.results_tab.log
90. BindingDB_17977.frags.mol2
91. BindingDB_17979.docklog
92. BindingDB_17979.docklog.mol2
93. BindingDB_17979.docklog.results_tab.log
94. BindingDB_17979.frags.mol2
95. BindingDB_17979.mol2
96. BindingDB_17982.docklog
97. BindingDB_17982.docklog.mol2
98. BindingDB_17982.docklog.results_tab.log
99. BindingDB_17982.frags.mol2
100. BindingDB_17982.mol2
101. BindingDB_17983.docklog
102. BindingDB_17983.docklog.mol2
103. BindingDB_17983.docklog.results_tab.log
104. BindingDB_17983.frags.mol2
105. BindingDB_17983.mol2
106. BindingDB_17985.docklog
107. BindingDB_17985.docklog.mol2
108. BindingDB_17985.docklog.results_tab.log
109. BindingDB_17985.frags.mol2
110. BindingDB_17985.mol2
111. BindingDB_17986.docklog
112. BindingDB_17986.docklog.mol2
113. BindingDB_17986.docklog.results_tab.log
114. BindingDB_17986.frags.mol2
115. BindingDB_17986.mol2
116. BindingDB_17987.docklog
117. BindingDB_17987.docklog.mol2
118. BindingDB_17987.docklog.results_tab.log
119. BindingDB_17987.frags.mol2
120. BindingDB_17987.mol2
121. bdb_2G1Y_5IG_3D.sdf
122. bdb_2G1Y_5IG_sim.txt
123. log-results.mol2
124. log-results_tab.log
125. prot-log.txt
126. prot.mol2
127. protein_sampling.mol2
128. scale