SPECS: Integration of side-chain orientation and global distance-based measures for improved evaluation of protein structural models.

ABSTRACT: Significant advancements in the field of protein structure prediction have necessitated the need for objective and robust evaluation of protein structural models by comparing predicted models against the experimentally determined native structures to quantitate their structural similarities. Existing protein model versus native similarity metrics either consider the distances between alpha carbon (Cα) or side-chain atoms for computing the similarity. However, side-chain orientation of a protein plays a critical role in defining its conformation at the atomic-level. Despite its importance, inclusion of side-chain orientation in structural similarity evaluation has not yet been addressed. Here, we present SPECS, a side-chain-orientation-included protein model-native similarity metric for imp

SUBMITTER: Alapati R 

PROVIDER: S-EPMC7018003 | biostudies-literature | 2020

REPOSITORIES: biostudies-literature