title: Molecular Dynamics Simulations of the Temperature Induced Unfolding of Crambin Follow the Arrhenius Equation.
abstract: Molecular dynamics simulations have been used extensively to model the folding and unfolding of proteins. The rates of folding and unfolding should follow the Arrhenius equation over a limited range of temperatures. This study shows that molecular dynamic simulations of the unfolding of crambin between 500K and 560K do follow the Arrhenius equation. They also show that while there is a large amount of variation between the simulations the average values for the rate show a very high degree of correlation.
authors.affiliation: Faculty of Science and Technology, University of Westminster, London, W1W 6UW, UK.
authors.forename: Andrew
authors.initials: A
authors.lastname: Dalby
authors.affiliation: Faculty of Biosciences and Medical Engineering, Universiti Teknologi Malaysia, Skudai, Johor, 81310, Malaysia.
authors.forename: Mohd Shahir
authors.initials: MS
authors.lastname: Shamsir
keywords: Arrhenius; Molecular dynamics; unfolding rate