Ontology highlight
ABSTRACT:
SUBMITTER: Ko E
PROVIDER: S-EPMC3551583 | biostudies-literature | 2013 Jan
REPOSITORIES: biostudies-literature
Ko Eunhwa E Raghuraman Arjun A Perez Lisa M LM Ioerger Thomas R TR Burgess Kevin K
Journal of the American Chemical Society 20121227 1
Small molecule probes that selectively perturb protein-protein interactions (PPIs) are pivotal to biomedical science, but their discovery is challenging. We hypothesized that conformational resemblance of semirigid scaffolds expressing amino acid side-chains to PPI-interface regions could guide this process. Consequently, a data mining algorithm was developed to sample huge numbers of PPIs to find ones that match preferred conformers of a selected semirigid scaffold. Conformations of one such ch ...[more]