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ABSTRACT:
SUBMITTER: Ashworth J
PROVIDER: S-EPMC2691843 | biostudies-literature | 2009 Jun
REPOSITORIES: biostudies-literature
Ashworth Justin J Baker David D
Nucleic acids research 20090423 10
The biological functions of DNA-binding proteins often require that they interact with their targets with high affinity and/or high specificity. Here, we describe a computational method that estimates the extent of optimization for affinity and specificity of amino acids at a protein-DNA interface based on the crystal structure of the complex, by modeling the changes in binding-free energy associated with all individual amino acid and base substitutions at the interface. The extent to which resi ...[more]