Bayesian statistical method for detecting structural and topological diversity in polymorphic proteins.

ABSTRACT: Polymorphisms in immune-related proteins and viral spike proteins are high and complicate host-virus interactions. Therefore, diversity analysis of such protein structures is essential to understand the mechanism of the immune system. However, experimental methods, including X-ray crystallography, nuclear magnetic resonance, and cryo-electron microscopy, have several problems: (i) they are conducted under different conditions from the actual cellular environment, (ii) they are laborious, time-consuming, and expensive, and (iii) they do not provide information on the thermodynamic behaviors. In this paper, we propose a computational method to solve these problems by using MD simulations, persistent homology, and a Bayesian statistical model. We apply our method to eight types of HLA-DR comp

SUBMITTER: Hayashi S 

PROVIDER: S-EPMC9706128 | biostudies-literature | 2022

REPOSITORIES: biostudies-literature