VASP-E: specificity annotation with a volumetric analysis of electrostatic isopotentials.

ABSTRACT: Algorithms for comparing protein structure are frequently used for function annotation. By searching for subtle similarities among very different proteins, these algorithms can identify remote homologs with similar biological functions. In contrast, few comparison algorithms focus on specificity annotation, where the identification of subtle differences among very similar proteins can assist in finding small structural variations that create differences in binding specificity. Few specificity annotation methods consider electrostatic fields, which play a critical role in molecular recognition. To fill this gap, this paper describes VASP-E (Volumetric Analysis of Surface Properties with Electrostatics), a novel volumetric comparison tool based on the electrostatic comparison of protein-liga

SUBMITTER: Chen BY 

PROVIDER: S-EPMC4148194 | biostudies-literature | 2014 Aug

REPOSITORIES: biostudies-literature