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RECOMB
2006
Springer

Predicting Experimental Quantities in Protein Folding Kinetics Using Stochastic Roadmap Simulation

14 years 3 months ago
Predicting Experimental Quantities in Protein Folding Kinetics Using Stochastic Roadmap Simulation
Abstract. This paper presents a new method for studying protein folding kinetics. It uses the recently introduced Stochastic Roadmap Simulation (SRS) method to estimate the transition state ensemble (TSE) and predict the rates and -values for protein folding. The new method was tested on 16 proteins. Comparison with experimental data shows that it estimates the TSE much more accurately than an existing method based on dynamic programming. This leads to better foldingrate predictions. The results on -value predictions are mixed, possibly due to the simple energy model used in the tests. This is the first time that results obtained from SRS have been compared against a substantial amount of experimental data. The success further validates the SRS method and indicates its potential as a general tool for studying protein folding kinetics.
Tsung-Han Chiang, Mehmet Serkan Apaydin, Douglas L
Added 03 Dec 2009
Updated 03 Dec 2009
Type Conference
Year 2006
Where RECOMB
Authors Tsung-Han Chiang, Mehmet Serkan Apaydin, Douglas L. Brutlag, David Hsu, Jean-Claude Latombe
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