Full input and output files for computationally docked structures of congeneric ligands similar to BDBM30192=F10 in crystal structure 2P3G

1. BindingDB_30178.frags.mol2
2. 2P3G_sdf.mol2
3. 2P3G-results_BindingDB_30178.mol2
4. BindingDB_30183.frags.mol2
5. BindingDB_30200.docklog
6. BindingDB_30196.docklog.mol2
7. BindingDB_30180.docklog.results_tab.log
8. prot-log.txt
9. BindingDB_30200.frags.mol2
10. 2P3G-marked-vox.pdb
11. BindingDB_30193.mol2
12. 2P3G-results_BindingDB_30179.mol2
13. 2P3G.csv
14. 2P3G.Targets
15. BindingDB_30188.docklog.mol2
16. BindingDB_30179.docklog.mol2
17. 2P3G-voxthresh-7.pdb
18. BindingDB_30183.docklog
19. 2P3G-marked-protein.pdb
20. BindingDB_30197.docklog.results_tab.log
21. BindingDB_30196.mol2
22. F10.sdf
23. BindingDB_30191.docklog.results_tab.log
24. 2P3G-results_BindingDB_30189.mol2
25. BindingDB_30190.docklog
26. BindingDB_30191.frags.mol2
27. 2P3G-results_BindingDB_30197.mol2
28. BindingDB_30199.docklog.mol2
29. BindingDB_30189.docklog
30. 2P3G-results_BindingDB_30191.mol2
31. BindingDB_30183.docklog.results_tab.log
32. 2P3G.mol2
33. BindingDB_30192.docklog.results_tab.log
34. 2P3G.pdb
35. BindingDB_30197.docklog
36. 2P3G-voxthresh-1.pdb
37. BindingDB_30180.docklog.mol2
38. BindingDB_30188.mol2
39. 2P3G-voxthresh-9.pdb
40. BindingDB_30190.docklog.mol2
41. 2P3G_sdf-log.txt
42. 2P3G_congener-log.txt
43. BindingDB_30191.docklog
44. BindingDB_30190.docklog.results_tab.log
45. 2P3G-results_BindingDB_30180.mol2
46. log-results.mol2
47. BindingDB_30196.docklog.results_tab.log
48. BindingDB_30179.frags.mol2
49. BindingDB_30195.docklog
50. BindingDB_30195.frags.mol2
51. BindingDB_30195.docklog.results_tab.log
52. BindingDB_30194.docklog
53. BindingDB_30190.mol2
54. BindingDB_30194.docklog.mol2
55. BindingDB_30181.docklog.results_tab.log
56. BindingDB_30195.mol2
57. BindingDB_30194.docklog.results_tab.log
58. BindingDB_30188.docklog
59. BindingDB_30191.docklog.mol2
60. log-results_tab.log
61. BindingDB_30189.docklog.results_tab.log
62. 2P3G-voxthresh-4.pdb
63. BindingDB_30181.docklog
64. 2P3G-results_BindingDB_30193.mol2
65. BindingDB_30189.mol2
66. protein_sampling.mol2
67. BindingDB_30199.docklog.results_tab.log
68. BindingDB_30194.mol2
69. 2P3G-voxthresh-5.pdb
70. BindingDB_30179.docklog.results_tab.log
71. 2P3G-voxthresh-2.pdb
72. BindingDB_30193.docklog.results_tab.log
73. BindingDB_30199.docklog
74. 2P3G-results_BindingDB_30195.mol2
75. BindingDB_30188.frags.mol2
76. BindingDB_30190.frags.mol2
77. 2P3G-results_BindingDB_30190.mol2
78. 2P3G-results_BindingDB_30194.mol2
79. 2P3G-voxthresh-6.pdb
80. BindingDB_30197.mol2
81. BindingDB_30181.mol2
82. log
83. BindingDB_30191.mol2
84. BindingDB_30192.docklog
85. BindingDB_30180.mol2
86. BindingDB_30194.frags.mol2
87. bdb_2P3G_F10_3D.sdf
88. BindingDB_30178.docklog.results_tab.log
89. BindingDB_30195.docklog.mol2
90. BindingDB_30192.docklog.mol2
91. BindingDB_30196.frags.mol2
92. 2P3G-voxthresh-3.pdb
93. 2P3G-results_BindingDB_30183.mol2
94. BindingDB_30180.docklog
95. BindingDB_30200.mol2
96. BindingDB_30183.mol2
97. BindingDB_30193.docklog
98. 2P3G_congener.mol2
99. BindingDB_30193.docklog.mol2
100. 2P3G.opt-protein-trim.mol2
101. 2P3G_ligand0.mol2
102. scale
103. frag2.mol2
104. BindingDB_30200.docklog.results_tab.log
105. BindingDB_30179.docklog
106. 2P3G-results.mol2
107. prot.mol2
108. BindingDB_30178.docklog.mol2
109. BindingDB_30180.frags.mol2
110. 2P3G-voxthresh-10.pdb
111. 2P3G-results_BindingDB_30192.mol2
112. 2P3G-voxthresh-8.pdb
113. 2P3G-protomol.mol2
114. BindingDB_30197.docklog.mol2
115. BindingDB_30199.mol2
116. BindingDB_30200.docklog.mol2
117. BindingDB_30193.frags.mol2
118. BindingDB_30181.frags.mol2
119. BindingDB_30181.docklog.mol2
120. BindingDB_30189.frags.mol2
121. BindingDB_30196.docklog
122. 2P3G-results_tab.log
123. 2P3G-voxthresh-0.pdb
124. bdb_2P3G_F10_sim.txt
125. BindingDB_30179.mol2
126. 2P3G-results_BindingDB_30181.mol2
127. BindingDB_30192.mol2
128. BindingDB_30197.frags.mol2
129. BindingDB_30188.docklog.results_tab.log
130. BindingDB_30189.docklog.mol2
131. frag1.mol2
132. BindingDB_30178.mol2
133. 2P3G-results_BindingDB_30196.mol2
134. BindingDB_30183.docklog.mol2
135. BindingDB_30192.frags.mol2
136. BindingDB_30199.frags.mol2
137. BindingDB_30178.docklog