GPCR homology model template selection benchmarking: Global versus local similarity measures.

ABSTRACT: G protein-coupled receptors (GPCR) are integral membrane proteins of considerable interest as targets for drug development. GPCR ligand interaction studies often have a starting point with either crystal structures or comparative models. The majority of GPCR do not have experimentally-characterized 3-dimensional structures, so comparative modeling, also called homology modeling, is a good structure-based starting point. Comparative modeling is a widely used method for generating models of proteins with unknown structures by analogy to crystallized proteins that are expected to exhibit structural conservation. Traditionally, comparative modeling template selection is based on global sequence identity and shared function. However high sequence identity localized to the ligand binding pocket

SUBMITTER: Castleman PN 

PROVIDER: S-EPMC6449851 | biostudies-literature | 2019 Jan

REPOSITORIES: biostudies-literature