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DrugScorePPI webserver: fast and accurate in silico alanine scanning for scoring protein-protein interactions.

Nucleic acids research - 1 Jul 2010

Krüger Dennis M, Gohlke Holger

Abstract excerpt

Protein-protein complexes play key roles in all cellular signal transduction processes. We have developed a fast and accurate computational approach to predict changes in the binding free energy upon alanine mutations in protein-protein interfaces. The approach is based on a knowledge-based scoring function, DrugScore(PPI), for which pair potentials were derived from 851 complex structures and adapted against 309...

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PMID: 20511591
DOI: 10.1093/nar/gkq471
PMCID: PMC2896140

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