A fast approach for structural and evolutionary analysis based on energetic profile protein comparison.

ABSTRACT: In structural bioinformatics, the efficiency of predicting protein similarity, function, and evolutionary relationships is crucial. Our approach proposed herein leverages protein energy profiles derived from a knowledge-based potential, deviating from traditional methods relying on structural alignment or atomic distances. This method assigns unique energy profiles to individual proteins, facilitating rapid comparative analysis for both structural similarities and evolutionary relationships across various hierarchical levels. Our study demonstrates that energy profiles contain substantial information about protein structure at class, fold, superfamily, and family levels. Notably, these profiles accurately distinguish proteins across species, illustrated by the classification of coronavirus

SUBMITTER: Choopanian P 

PROVIDER: S-EPMC11882786 | biostudies-literature | 2025 Mar

REPOSITORIES: biostudies-literature