Full input and output files for computationally docked structures of congeneric ligands similar to BDBM33210=ZYU in crystal structure 2WMU

1. 2WMU.mol2
2. bdb_2WMU_ZYU_sim.txt
3. prot-log.txt
4. BindingDB_7533.docklog.results_tab.log
5. 2WMU-results_tab.log
6. 2WMU-voxthresh-3.pdb
7. 2WMU_congener-log.txt
8. BindingDB_50359801.docklog.results_tab.log
9. 2WMU_congener.mol2
10. BindingDB_50359802.mol2
11. BindingDB_50359801.docklog
12. BindingDB_50359803.docklog
13. BindingDB_50359802.docklog.mol2
14. BindingDB_33211.docklog
15. BindingDB_33210.frags.mol2
16. BindingDB_50359802.docklog.results_tab.log
17. BindingDB_7533.docklog.mol2
18. BindingDB_33211.docklog.results_tab.log
19. log-results.mol2
20. 2WMU-protomol.mol2
21. 2WMU-voxthresh-6.pdb
22. BindingDB_50359802.docklog
23. BindingDB_33210.docklog.results_tab.log
24. 2WMU.Targets
25. 2WMU-results_BindingDB_50359801.mol2
26. 2WMU-voxthresh-7.pdb
27. 2WMU-voxthresh-0.pdb
28. BindingDB_50359801.frags.mol2
29. log-results_tab.log
30. 2WMU_ligand0.mol2
31. 2WMU.opt-protein-trim.mol2
32. BindingDB_7533.frags.mol2
33. 2WMU-voxthresh-5.pdb
34. BindingDB_7533.mol2
35. 2WMU_water.mol2
36. 2WMU-voxthresh-2.pdb
37. log
38. bdb_2WMU_ZYU_3D.sdf
39. ligand_sampling.mol2
40. BindingDB_33211.mol2
41. BindingDB_50359802.frags.mol2
42. BindingDB_50359801.docklog.mol2
43. BindingDB_33210.mol2
44. ZYU.sdf
45. 2WMU_sdf-log.txt
46. BindingDB_33211.frags.mol2
47. BindingDB_33210.docklog.mol2
48. 2WMU-marked-protein.pdb
49. 2WMU-results_BindingDB_50359802.mol2
50. scale
51. frag2.mol2
52. 2WMU-results_BindingDB_33211.mol2
53. prot.mol2
54. BindingDB_50359803.mol2
55. BindingDB_50359803.docklog.mol2
56. BindingDB_50359801.mol2
57. 2WMU-voxthresh-10.pdb
58. BindingDB_50359803.docklog.results_tab.log
59. 2WMU_sdf.mol2
60. 2WMU.csv
61. BindingDB_7533.docklog
62. 2WMU-voxthresh-8.pdb
63. 2WMU-voxthresh-4.pdb
64. BindingDB_50359803.frags.mol2
65. 2WMU-voxthresh-9.pdb
66. 2WMU-marked-vox.pdb
67. 2WMU-results_BindingDB_33210.mol2
68. 2WMU-voxthresh-1.pdb
69. BindingDB_33211.docklog.mol2
70. 2WMU-results.mol2
71. 2WMU.pdb
72. frag1.mol2
73. BindingDB_33210.docklog