diff options
Diffstat (limited to 'valproic_acid_inding_energy.csv')
| -rw-r--r-- | valproic_acid_inding_energy.csv | 10 |
1 files changed, 10 insertions, 0 deletions
diff --git a/valproic_acid_inding_energy.csv b/valproic_acid_inding_energy.csv new file mode 100644 index 0000000..5ee1df2 --- /dev/null +++ b/valproic_acid_inding_energy.csv @@ -0,0 +1,10 @@ +Ligand,Binding Affinity,rmsd/ub, rmsd/lb
+6lu7cov_valproic_acid,-6.3,0.0,0.0
+6lu7cov_valproic_acid,-6.2,29.292,28.616
+6lu7cov_valproic_acid,-6.2,29.335,28.523
+6lu7cov_valproic_acid,-6.2,29.563,28.743
+6lu7cov_valproic_acid,-6.1,27.663,26.801
+6lu7cov_valproic_acid,-6.0,29.286,28.436
+6lu7cov_valproic_acid,-5.8,16.768,16.696
+6lu7cov_valproic_acid,-5.7,17.007,16.537
+6lu7cov_valproic_acid,-5.6,23.538,23.074
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