Physics – Condensed Matter – Statistical Mechanics
Scientific paper
2003-09-14
Physics
Condensed Matter
Statistical Mechanics
12 pages, 4 figures, (LaTeX)
Scientific paper
10.1016/j.cplett.2003.10.153
We propose a method for predicting helical membrane protein structures by computer simulations. Our method consists of two parts. In the first part, amino-acid sequences of the transmembrane helix regions are obtained from one of existing WWW servers. In the second part, we perform a replica-exchange simulation of these transmembrane helices with some constraints and identify the predicted structure as the global-minimum-energy state. We have tested the method with the dimeric transmembrane domain of glycophorin A. The structure obtained from the prediction was in close agreement with the experimental data.
Kokubo Hironori
Okamoto Yuko
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