oaioai:CiteSeerX.psu:10.1.1.63.4734

Predicting Experimental Quantities in Protein Folding Kinetics using Stochastic Roadmap Simulation

Abstract

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 Φ-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 Φ-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.

Similar works

Full text

thumbnail-image
oaioai:CiteSeerX.psu:10.1.1.63.4734Last time updated on 10/22/2014

This paper was published in CiteSeerX.

Having an issue?

Is data on this page outdated, violates copyrights or anything else? Report the problem now and we will take corresponding actions after reviewing your request.