Ontology highlight
ABSTRACT:
SUBMITTER: Janin J
PROVIDER: S-EPMC4253822 | biostudies-other | 2014 Dec
REPOSITORIES: biostudies-other
Protein science : a publication of the Protein Society 20141025 12
A minimal model of protein-protein binding affinity that takes into account only two structural features of the complex, the size of its interface, and the amplitude of the conformation change between the free and bound subunits, is tested on the 144 complexes of a structure-affinity benchmark. It yields Kd values that are within two orders of magnitude of the experiment for 67% of the complexes, within three orders for 88%, and fails on 12%, which display either large conformation changes, or a ...[more]