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Table 3 Information on the five pairs of HIV protease complexes with the highest similarities

From: A knowledge-guided strategy for improving the accuracy of scoring functions in binding affinity prediction

The query complex

The reference complex

 

PDB

Code

-log K d (exp)

X-Score+

KGS

X-Score

PDB

Code

-log K d (exp)

Similarity

1B6M

8.40

8.39

8.83

1MTR

8.40

0.67

1MTR

8.40

8.41

8.84

1B6M

8.40

0.67

1HVJ

11.40

10.68

8.86

1HVK

10.96

0.67

1HVK

10.96

11.68

9.28

1HVJ

11.40

0.67

1HVL

9.95

11.43

8.90

1HVJ

11.40

0.67