Toward Reliable Simulations of Protein Folding, Misfolding and Aggregation
Document Type
Book Chapter
Publication Date
2008
Department
Department of Physics
Abstract
Publisher Summary:
This chapter discusses the reliable simulations of protein folding, misfolding, and aggregation. Computer simulations now regularly complement experiments in molecular biology. Often, they are the only instrument to probe fundamental processes in a cell. The chapter discusses a number of widely utilized algorithms and reviews recent results that demonstrate the power of these techniques in protein simulations. A system's biology of cells requires an insight into the molecular foundation of the fundamental processes in cells. A key component is proteins, which are nanomachines responsible for transporting molecules, catalyzing biochemical reactions, or fighting infections. Modern simulation techniques and experimental advances have led to a picture of protein folding as a stochastic search for the global minimum of free energy at physiological temperatures. The final structure determines the rate and mechanism of folding. The more complex the native structure of a protein is, the slower it folds.
Publication Title
Progress in Molecular Biology and Translational Science
Recommended Citation
Hansmann, U.
(2008).
Toward Reliable Simulations of Protein Folding, Misfolding and Aggregation.
Progress in Molecular Biology and Translational Science,
84, 39-55.
http://doi.org/10.1016/S0079-6603(08)00402-9
Retrieved from: https://digitalcommons.mtu.edu/michigantech-p/7386