Full input and output files for computationally docked structures of congeneric ligands similar to BDBM50097071=778 in crystal structure 1S63

1. prot-log.txt
2. 1S63-voxthresh-7.pdb
3. 1S63_congener-log.txt
4. 1S63_sdf.mol2
5. 1S63-voxthresh-5.pdb
6. 1S63-voxthresh-10.pdb
7. 1S63.pdb
8. 1S63-results_tab.log
9. 1S63-voxthresh-3.pdb
10. BindingDB_50097071.frags.mol2
11. bdb_1S63_778_3D.sdf
12. BindingDB_50112385.frags.mol2
13. 1S63.Targets
14. 1S63-marked-protein.pdb
15. BindingDB_50112385.docklog
16. BindingDB_50112392.docklog.mol2
17. 1S63-voxthresh-8.pdb
18. BindingDB_50112374.docklog.mol2
19. 1S63_congener.mol2
20. bdb_1S63_778_sim.txt
21. 1S63_ligand0.mol2
22. 778.sdf
23. BindingDB_50112374.docklog.results_tab.log
24. log-results.mol2
25. BindingDB_50112392.mol2
26. 1S63_ligand1.mol2
27. 1S63.csv
28. 1S63-results_BindingDB_50097071.mol2
29. 1S63.opt-protein-trim.mol2
30. BindingDB_50112385.mol2
31. 1S63-voxthresh-0.pdb
32. 1S63_water.mol2
33. BindingDB_50112374.mol2
34. 1S63-voxthresh-6.pdb
35. BindingDB_50097071.docklog
36. log-results_tab.log
37. BindingDB_50097071.docklog.results_tab.log
38. BindingDB_50097075.mol2
39. BindingDB_50097075.docklog.mol2
40. BindingDB_50097075.docklog.results_tab.log
41. protein_sampling.mol2
42. 1S63.mol2
43. BindingDB_50112392.docklog.results_tab.log
44. BindingDB_50097071.docklog.mol2
45. 1S63-voxthresh-4.pdb
46. log
47. BindingDB_50112374.docklog
48. 1S63-voxthresh-1.pdb
49. BindingDB_50097071.mol2
50. BindingDB_50112392.docklog
51. BindingDB_50112374.frags.mol2
52. scale
53. frag2.mol2
54. prot.mol2
55. BindingDB_50112392.frags.mol2
56. BindingDB_50097075.docklog
57. 1S63-voxthresh-9.pdb
58. 1S63-voxthresh-2.pdb
59. 1S63_ligand2.mol2
60. 1S63-protomol.mol2
61. BindingDB_50097075.frags.mol2
62. 1S63-marked-vox.pdb
63. BindingDB_50112385.docklog.mol2
64. 1S63-results.mol2
65. frag1.mol2
66. BindingDB_50112385.docklog.results_tab.log
67. 1S63_sdf-log.txt