DrugscorePPI is a knowledge-based scoring function for computational alanine-scanning in protein-protein interfaces. The PDB-derived statistical potentials have been fine-tuned by an atomtype-based QSAR approach with respect to experimental binding free energy differences between wildtype proteins and ALA mutants for protein-protein complex formation. DrugScorePPI is therefore dedicated to successfully identify hot spots in protein-protein interfaces.
References in zbMATH (referenced in 1 article )
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