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Pembrolizumab vs. Pemfauxlizumab PD-1 Binding from HADDOCK
PD-1 Binding Pembrolizumab Pemfauxlizumab
HADDOCK score -138.0 +/- 0.8 -60.6 +/- 4.2
Van der Waals energy -84.8 +/- 3.8 -33.0 +/- 1.6
Electrostatic energy -232.2 +/- 25.9 -292.2 +/- 32.7
Desolvation energy -7.8 +/- 1.6 18.5 +/- 2.8
Restraints violation energy 9.5 +/- 4.9 123.5 +/- 28.9
Buried Surface Area 2204.2 +/- 53.3 1678.7 +/- 60.2
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