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Full input and output files for computationally docked structures of congeneric ligands similar to BDBM50380152=E50 in crystal structure 3SAX
  1. 3SAX-results_BindingDB_50329833.mol2
  2. 3SAX.mol2
  3. 3SAX-results_BindingDB_50329835.mol2
  4. BindingDB_50380142.mol2
  5. prot-log.txt
  6. BindingDB_50380139.docklog
  7. 3SAX-voxthresh-8.pdb
  8. BindingDB_50380159.docklog.mol2
  9. BindingDB_50380159.docklog
  10. BindingDB_50380142.docklog.mol2
  11. BindingDB_50380141.mol2
  12. 3SAX-results_BindingDB_50380152.mol2
  13. 3SAX_ligand2.mol2
  14. BindingDB_50380152.frags.mol2
  15. BindingDB_50380139.docklog.mol2
  16. BindingDB_50380140.docklog.mol2
  17. 3SAX.csv
  18. 3SAX-results_BindingDB_50380141.mol2
  19. BindingDB_50380152.mol2
  20. BindingDB_50380146.frags.mol2
  21. 3SAX_congener-log.txt
  22. 3SAX-voxthresh-7.pdb
  23. bdb_3SAX_E50_sim.txt
  24. BindingDB_50380142.docklog.results_tab.log
  25. BindingDB_50380138.docklog.results_tab.log
  26. 3SAX-marked-protein.pdb
  27. BindingDB_50380151.docklog.results_tab.log
  28. BindingDB_50380141.frags.mol2
  29. BindingDB_50329833.frags.mol2
  30. BindingDB_50380138.docklog
  31. BindingDB_50329835.docklog
  32. BindingDB_50380140.frags.mol2
  33. 3SAX-voxthresh-1.pdb
  34. BindingDB_50329836.mol2
  35. BindingDB_50380151.frags.mol2
  36. log-results.mol2
  37. BindingDB_50329835.docklog.results_tab.log
  38. BindingDB_50380139.mol2
  39. BindingDB_50329833.docklog.results_tab.log
  40. BindingDB_50380155.docklog
  41. BindingDB_50329833.docklog
  42. 3SAX-voxthresh-0.pdb
  43. 3SAX.opt-protein-trim.mol2
  44. 3SAX-results_BindingDB_50380151.mol2
  45. 3SAX_sdf-log.txt
  46. BindingDB_50329836.frags.mol2
  47. BindingDB_50380152.docklog.mol2
  48. 3SAX_water.mol2
  49. log-results_tab.log
  50. BindingDB_50380158.frags.mol2
  51. 3SAX_congener.mol2
  52. BindingDB_50380142.docklog
  53. BindingDB_50380146.docklog.results_tab.log
  54. protein_sampling.mol2
  55. BindingDB_50380139.frags.mol2
  56. 3SAX-voxthresh-5.pdb
  57. BindingDB_50380151.mol2
  58. BindingDB_50380155.mol2
  59. BindingDB_50329836.docklog
  60. 3SAX-voxthresh-2.pdb
  61. BindingDB_50380140.docklog
  62. BindingDB_50380151.docklog.mol2
  63. BindingDB_50380138.mol2
  64. log
  65. BindingDB_50380141.docklog
  66. 3SAX-results_BindingDB_50380142.mol2
  67. BindingDB_50380146.mol2
  68. ligand_sampling.mol2
  69. 3SAX-marked-vox.pdb
  70. 3SAX-results_BindingDB_50380138.mol2
  71. BindingDB_50380141.docklog.mol2
  72. BindingDB_50380158.docklog.mol2
  73. BindingDB_50380146.docklog
  74. 3SAX-results_BindingDB_50380158.mol2
  75. BindingDB_50380152.docklog.results_tab.log
  76. BindingDB_50380155.frags.mol2
  77. BindingDB_50380141.docklog.results_tab.log
  78. 3SAX-results_tab.log
  79. 3SAX-results_BindingDB_50380140.mol2
  80. 3SAX-results_BindingDB_50380146.mol2
  81. BindingDB_50380155.docklog.results_tab.log
  82. BindingDB_50329836.docklog.mol2
  83. BindingDB_50329835.docklog.mol2
  84. 3SAX-voxthresh-6.pdb
  85. 3SAX.pdb
  86. scale
  87. BindingDB_50329833.mol2
  88. frag2.mol2
  89. BindingDB_50380138.frags.mol2
  90. prot.mol2
  91. 3SAX_sdf.mol2
  92. BindingDB_50380146.docklog.mol2
  93. 3SAX-results_BindingDB_50380139.mol2
  94. 3SAX-voxthresh-3.pdb
  95. 3SAX_ligand0.mol2
  96. BindingDB_50380153.docklog.mol2
  97. BindingDB_50380140.docklog.results_tab.log
  98. BindingDB_50380155.docklog.mol2
  99. BindingDB_50380158.docklog.results_tab.log
  100. UnDockable.list
  101. BindingDB_50380159.docklog.results_tab.log
  102. 3SAX-results_BindingDB_50380153.mol2
  103. 3SAX.Targets
  104. BindingDB_50380140.mol2
  105. bdb_3SAX_E50_3D.sdf
  106. BindingDB_50380153.docklog.results_tab.log
  107. BindingDB_50380152.docklog
  108. BindingDB_50380153.mol2
  109. BindingDB_50329836.docklog.results_tab.log
  110. BindingDB_50380138.docklog.mol2
  111. BindingDB_50380153.docklog
  112. 3SAX-results.mol2
  113. BindingDB_50380139.docklog.results_tab.log
  114. BindingDB_50380153.frags.mol2
  115. BindingDB_50380159.frags.mol2
  116. BindingDB_50380158.mol2
  117. BindingDB_50329835.mol2
  118. 3SAX_ligand3.mol2
  119. BindingDB_50380142.frags.mol2
  120. 3SAX_ligand1.mol2
  121. 3SAX-voxthresh-4.pdb
  122. BindingDB_50380151.docklog
  123. E50.sdf
  124. BindingDB_50380159.mol2
  125. 3SAX-results_BindingDB_50380155.mol2
  126. frag1.mol2
  127. 3SAX-voxthresh-9.pdb
  128. BindingDB_50329835.frags.mol2
  129. 3SAX-results_BindingDB_50329836.mol2
  130. BindingDB_50329833.docklog.mol2
  131. 3SAX-protomol.mol2
  132. BindingDB_50380158.docklog