A coarse-grained mechanical model for folding and unfolding of tropoelastin with possible mutations.

ABSTRACT: We propose a simple general framework to predict folding, native states, energy barriers, protein unfolding, as well as mutation induced diseases and other protein structural analyses. The model should not be considered as an alternative to classical approaches (Molecular Dynamics or Monte Carlo) because it neglects low scale details and rather focuses on global features of proteins and structural information. We aim at the description of phenomena that are out of the range of classical molecular modeling approaches due to the large computational cost: multimolecular interactions, cyclic behavior under variable external interactions, and similar. To demonstrate the effectiveness of the approach in a real case, we focus on the folding and unfolding behavior of tropoelastin and its mutations

SUBMITTER: Florio G 

PROVIDER: S-EPMC8542605 | biostudies-literature | 2021 Oct

REPOSITORIES: biostudies-literature