George Mason University
George Mason University Mason
George Mason University

A Stochastic Roadmap Method to Model Protein Structural Transitions

by Amarda Shehu

Publication Details MORE LESS

  • Published Date: January 10, 2015
  • Publisher: Cambridge Journals


Evidence is emerging that the role of protein structure in disease needs to be rethought. Sequence mutations in proteins are often found to affect the rate at which a protein switches between structures. Modeling structural transitions in wildtype and variant proteins is central to understanding the molecular basis of disease. This paper investigates an efficient algorithmic realization of the stochastic roadmap simulation framework to model structural transitions in wildtype and variants of proteins implicated in human disorders. Our results indicate that the algorithm is able to extract useful information on the impact of mutations on protein structure and function.

Other Contributors

Kevin Molloy, Rudy Clausen