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Full input and output files for computationally docked structures of congeneric ligands similar to BDBM15275=85A in crystal structure 2E9V
  1. BindingDB_15277.docklog.mol2
  2. BindingDB_15277.docklog.results_tab.log
  3. BindingDB_50224903.frags.mol2
  4. 2E9V_ligand1.mol2
  5. BindingDB_15287.docklog.results_tab.log
  6. 2E9V.pdb
  7. 2E9V-voxthresh-2.pdb
  8. prot-log.txt
  9. BindingDB_15277.mol2
  10. BindingDB_50224908.docklog.mol2
  11. BindingDB_15272.docklog
  12. 2E9V-marked-vox.pdb
  13. 2E9V-voxthresh-1.pdb
  14. BindingDB_50224903.docklog.results_tab.log
  15. 2E9V-voxthresh-5.pdb
  16. BindingDB_15273.docklog.mol2
  17. BindingDB_15287.docklog.mol2
  18. BindingDB_50224903.docklog.mol2
  19. BindingDB_15276.docklog.results_tab.log
  20. BindingDB_15268.docklog
  21. 2E9V.csv
  22. 2E9V-voxthresh-9.pdb
  23. BindingDB_15268.docklog.mol2
  24. 2E9V_water.mol2
  25. BindingDB_15276.docklog.mol2
  26. BindingDB_15288.docklog
  27. 2E9V-marked-protein.pdb
  28. BindingDB_50224889.docklog.results_tab.log
  29. BindingDB_15274.docklog
  30. BindingDB_15275.frags.mol2
  31. BindingDB_15280.docklog.results_tab.log
  32. 2E9V-voxthresh-4.pdb
  33. BindingDB_15280.docklog
  34. BindingDB_15276.mol2
  35. BindingDB_15273.docklog.results_tab.log
  36. BindingDB_15276.frags.mol2
  37. 2E9V_congener.mol2
  38. log-results.mol2
  39. BindingDB_15288.frags.mol2
  40. 2E9V-results_tab.log
  41. BindingDB_15288.docklog.results_tab.log
  42. 2E9V_congener-log.txt
  43. BindingDB_15287.docklog
  44. BindingDB_15269.docklog
  45. 2E9V.opt-protein-trim.mol2
  46. BindingDB_15270.mol2
  47. BindingDB_15270.docklog.results_tab.log
  48. bdb_2E9V_85A_sim.txt
  49. BindingDB_15282.mol2
  50. BindingDB_15268.frags.mol2
  51. BindingDB_50224889.docklog
  52. BindingDB_50224889.docklog.mol2
  53. BindingDB_15269.docklog.results_tab.log
  54. BindingDB_15268.mol2
  55. BindingDB_15268.docklog.results_tab.log
  56. BindingDB_15274.frags.mol2
  57. BindingDB_15271.frags.mol2
  58. BindingDB_15274.mol2
  59. 2E9V.mol2
  60. 2E9V-voxthresh-7.pdb
  61. BindingDB_15270.docklog
  62. log-results_tab.log
  63. BindingDB_50224900.frags.mol2
  64. BindingDB_50224889.frags.mol2
  65. BindingDB_15275.docklog.mol2
  66. 2E9V_sdf.mol2
  67. BindingDB_15280.mol2
  68. protein_sampling.mol2
  69. BindingDB_50224903.docklog
  70. 2E9V-results.mol2
  71. BindingDB_15282.docklog.results_tab.log
  72. 2E9V-protomol.mol2
  73. BindingDB_15275.mol2
  74. 85A.sdf
  75. BindingDB_15282.docklog
  76. BindingDB_15270.docklog.mol2
  77. log
  78. ligand_sampling.mol2
  79. 2E9V_ligand0.mol2
  80. BindingDB_15288.docklog.mol2
  81. BindingDB_50224908.mol2
  82. 2E9V-voxthresh-8.pdb
  83. BindingDB_15269.docklog.mol2
  84. BindingDB_15280.docklog.mol2
  85. BindingDB_15272.mol2
  86. 2E9V-voxthresh-0.pdb
  87. BindingDB_15269.mol2
  88. BindingDB_15287.mol2
  89. BindingDB_15272.docklog.results_tab.log
  90. BindingDB_15273.mol2
  91. scale
  92. frag2.mol2
  93. BindingDB_15288.mol2
  94. BindingDB_50224900.docklog
  95. BindingDB_15277.docklog
  96. 2E9V_sdf-log.txt
  97. BindingDB_50224900.docklog.results_tab.log
  98. BindingDB_15273.frags.mol2
  99. prot.mol2
  100. BindingDB_15273.docklog
  101. BindingDB_15280.frags.mol2
  102. 2E9V-voxthresh-6.pdb
  103. BindingDB_50224903.mol2
  104. BindingDB_50224908.docklog.results_tab.log
  105. UnDockable.list
  106. BindingDB_15275.docklog
  107. BindingDB_15271.docklog.results_tab.log
  108. BindingDB_50224908.docklog
  109. BindingDB_50224908.frags.mol2
  110. BindingDB_15269.frags.mol2
  111. 2E9V-voxthresh-10.pdb
  112. BindingDB_15282.frags.mol2
  113. BindingDB_15271.mol2
  114. BindingDB_15287.frags.mol2
  115. BindingDB_15272.docklog.mol2
  116. bdb_2E9V_85A_3D.sdf
  117. BindingDB_15282.docklog.mol2
  118. BindingDB_15274.docklog.results_tab.log
  119. BindingDB_15272.frags.mol2
  120. BindingDB_50224900.mol2
  121. BindingDB_15270.frags.mol2
  122. 2E9V.Targets
  123. BindingDB_50224889.mol2
  124. BindingDB_15271.docklog
  125. frag1.mol2
  126. BindingDB_15277.frags.mol2
  127. BindingDB_15275.docklog.results_tab.log
  128. BindingDB_15276.docklog
  129. BindingDB_50224900.docklog.mol2
  130. BindingDB_15271.docklog.mol2
  131. BindingDB_15274.docklog.mol2
  132. 2E9V-voxthresh-3.pdb