Towards comprehensive analysis of protein family quantitative stability-flexibility relationships using homology models.

ABSTRACT: The Distance Constraint Model (DCM) is a computational modeling scheme that uniquely integrates thermodynamic and mechanical descriptions of protein structure. As such, quantitative stability-flexibility relationships (QSFR) that describe the interrelationships of thermodynamics and mechanics can be quickly computed. Using comparative QSFR analyses, we have previously investigated these relationships across a small number of protein orthologs, ranging from two to a dozen [1, 2]. However, our ultimate goal is provide a comprehensive analysis of whole protein families, which requires consideration of many more structures. To that end, we have developed homology modeling and assessment protocols so that we can robustly calculate QSFR properties for proteins without experimentally derived stru

SUBMITTER: Verma D 

PROVIDER: S-EPMC4676804 | biostudies-literature | 2014

REPOSITORIES: biostudies-literature