1 files changed, 134 insertions, 0 deletions
diff --git a/Docking/Results/6Y84.csv b/Docking/Results/6Y84.csv
new file mode 100755
index 0000000..29a4973
--- /dev/null
+++ b/Docking/Results/6Y84.csv
@@ -0,0 +1,134 @@
+Ligand,Binding Affinity,rmsd/ub, rmsd/lb
+6Y84_934,-10.1,0.0,0.0
+6Y84_934,-10.1,19.183,18.249
+6Y84_934,-10.0,3.492,0.337
+6Y84_934,-10.0,5.825,3.957
+6Y84_934,-9.8,4.199,2.469
+6Y84_934,-9.8,6.813,4.063
+6Y84_934,-9.8,19.056,17.989
+6Y84_934,-9.8,3.356,1.999
+6Y84_934,-9.8,4.629,2.622
+6Y84_DB14761,-18.6,0.0,0.0
+6Y84_DB14761,-16.7,6.983,2.833
+6Y84_DB14761,-16.6,2.759,1.722
+6Y84_DB14761,-16.4,6.214,4.701
+6Y84_DB14761,-16.2,2.553,1.363
+6Y84_DB14761,-16.1,5.449,3.689
+6Y84_DB14761,-15.7,6.812,3.591
+6Y84_ZINC000000006787,-8.3,0.0,0.0
+6Y84_ZINC000000006787,-7.7,2.124,0.733
+6Y84_ZINC000000006787,-7.7,1.245,0.719
+6Y84_ZINC000000006787,-7.5,8.8,5.535
+6Y84_ZINC000000006787,-7.3,2.249,1.569
+6Y84_ZINC000000006787,-7.2,3.273,2.454
+6Y84_ZINC000000006787,-7.1,3.946,2.823
+6Y84_ZINC000000006787,-7.0,6.158,4.76
+6Y84_ZINC000000006787,-7.0,20.123,18.239
+6Y84_ZINC000000020246,-6.7,0.0,0.0
+6Y84_ZINC000000020246,-6.6,5.522,2.498
+6Y84_ZINC000000020246,-6.6,6.842,3.082
+6Y84_ZINC000000020246,-6.2,6.012,3.228
+6Y84_ZINC000000020246,-6.1,4.784,2.429
+6Y84_ZINC000000020246,-6.0,6.768,3.713
+6Y84_ZINC000000020246,-5.9,5.642,2.675
+6Y84_ZINC000000020246,-5.7,21.023,19.629
+6Y84_ZINC000000020246,-5.6,4.83,2.385
+6Y84_ZINC000001529323,-7.8,0.0,0.0
+6Y84_ZINC000001529323,-7.6,8.211,4.996
+6Y84_ZINC000001529323,-7.6,6.291,3.903
+6Y84_ZINC000001529323,-7.3,7.93,4.858
+6Y84_ZINC000001529323,-7.3,7.869,4.668
+6Y84_ZINC000001529323,-7.2,7.461,4.487
+6Y84_ZINC000001529323,-7.0,7.752,4.637
+6Y84_ZINC000001529323,-6.8,20.271,18.398
+6Y84_ZINC000001529323,-6.7,20.09,18.29
+6Y84_ZINC000001530741,-7.8,0.0,0.0
+6Y84_ZINC000001530741,-7.8,5.046,2.338
+6Y84_ZINC000001530741,-7.7,2.003,1.342
+6Y84_ZINC000001530741,-7.7,7.014,2.857
+6Y84_ZINC000001530741,-7.5,6.899,4.184
+6Y84_ZINC000001530741,-7.3,4.829,1.906
+6Y84_ZINC000001530741,-7.1,6.128,2.423
+6Y84_ZINC000001530741,-7.1,20.63,18.814
+6Y84_ZINC000001530741,-6.9,20.819,19.58
+6Y84_ZINC000001543873,-7.6,0.0,0.0
+6Y84_ZINC000001543873,-7.6,7.524,2.695
+6Y84_ZINC000001543873,-7.4,5.624,4.189
+6Y84_ZINC000001543873,-7.4,7.478,2.511
+6Y84_ZINC000001543873,-7.2,5.763,3.603
+6Y84_ZINC000001543873,-7.2,7.923,4.91
+6Y84_ZINC000001543873,-7.2,7.929,6.26
+6Y84_ZINC000001543873,-7.1,5.188,4.06
+6Y84_ZINC000001543873,-7.1,2.966,2.03
+6Y84_ZINC000003008621,-5.1,0.0,0.0
+6Y84_ZINC000003008621,-5.0,4.215,2.572
+6Y84_ZINC000003008621,-4.9,4.023,2.331
+6Y84_ZINC000003008621,-4.8,5.727,3.323
+6Y84_ZINC000003008621,-4.8,4.707,3.23
+6Y84_ZINC000003008621,-4.6,3.607,1.132
+6Y84_ZINC000003008621,-4.5,4.94,2.696
+6Y84_ZINC000003008621,-4.5,17.72,17.016
+6Y84_ZINC000003008621,-4.5,17.838,17.084
+6Y84_ZINC000003873817,-9.0,0.0,0.0
+6Y84_ZINC000003873817,-8.2,8.706,5.257
+6Y84_ZINC000003873817,-8.0,7.126,3.758
+6Y84_ZINC000003873817,-7.8,7.67,4.829
+6Y84_ZINC000003873817,-7.8,20.838,18.475
+6Y84_ZINC000003873817,-7.7,21.076,18.734
+6Y84_ZINC000003873817,-7.7,20.604,18.418
+6Y84_ZINC000003873817,-7.5,4.795,2.553
+6Y84_ZINC000003873817,-7.5,22.433,19.851
+6Y84_ZINC000004097185,-7.7,0.0,0.0
+6Y84_ZINC000004097185,-7.5,2.603,1.725
+6Y84_ZINC000004097185,-7.4,1.851,0.476
+6Y84_ZINC000004097185,-7.3,3.098,2.01
+6Y84_ZINC000004097185,-7.1,3.068,2.108
+6Y84_ZINC000004097185,-6.8,3.774,2.178
+6Y84_ZINC000004097185,-6.6,23.293,19.922
+6Y84_ZINC000004097185,-6.3,23.103,19.894
+6Y84_ZINC000004097185,-6.0,23.987,20.6
+6Y84_ZINC000019418959,-8.0,0.0,0.0
+6Y84_ZINC000019418959,-8.0,2.24,1.638
+6Y84_ZINC000019418959,-7.9,2.219,1.338
+6Y84_ZINC000019418959,-7.7,7.442,3.267
+6Y84_ZINC000019418959,-7.5,6.061,3.057
+6Y84_ZINC000019418959,-7.0,5.908,4.251
+6Y84_ZINC000019418959,-6.8,4.35,3.037
+6Y84_ZINC000019418959,-6.8,6.116,3.253
+6Y84_ZINC000019418959,-6.7,5.729,3.856
+6Y84_ZINC000019796018,-7.6,0.0,0.0
+6Y84_ZINC000019796018,-7.5,6.098,3.234
+6Y84_ZINC000019796018,-7.2,6.562,3.402
+6Y84_ZINC000019796018,-6.8,8.404,4.578
+6Y84_ZINC000019796018,-6.6,20.761,19.901
+6Y84_ZINC000019796018,-6.3,21.529,20.421
+6Y84_ZINC000019796018,-6.2,20.779,19.495
+6Y84_ZINC000019796018,-6.1,22.048,20.536
+6Y84_ZINC000019796018,-6.1,21.261,20.101
+6Y84_ZINC000095483532,-8.4,0.0,0.0
+6Y84_ZINC000095483532,-7.8,4.168,2.932
+6Y84_ZINC000095483532,-7.8,4.944,3.836
+6Y84_ZINC000095483532,-7.7,6.087,4.635
+6Y84_ZINC000095483532,-7.6,4.113,2.834
+6Y84_ZINC000095483532,-7.4,6.23,1.819
+6Y84_ZINC000095483532,-7.3,6.414,3.451
+6Y84_ZINC000095483532,-7.1,6.169,2.081
+6Y84_ZINC000095483532,-7.1,6.875,2.706
+6Y84_null,-12.1,0.0,0.0
+6Y84_null,-11.6,4.291,1.951
+6Y84_null,-11.4,8.479,6.901
+6Y84_null,-11.1,8.392,7.159
+6Y84_null,-11.1,7.118,5.587
+6Y84_null,-10.8,9.35,7.608
+6Y84_null,-10.5,9.14,7.489
+6Y84_null,-10.4,8.116,5.556
+6Y84_null,-10.3,20.272,19.877
+6Y84_vigabatrin,-7.4,0.0,0.0
+6Y84_vigabatrin,-7.4,10.551,10.077
+6Y84_vigabatrin,-7.4,2.186,1.27
+6Y84_vigabatrin,-7.2,3.625,2.685
+6Y84_vigabatrin,-7.2,2.781,1.823
+6Y84_vigabatrin,-6.9,2.02,1.563
+6Y84_vigabatrin,-6.8,10.516,10.023
+6Y84_vigabatrin,-6.5,9.863,9.603
+6Y84_vigabatrin,-6.4,10.401,10.032