Prediction of membrane protein structures by replica-exchange Monte Carlo simulations

Prof. Yuko Okamoto, The Graduate Univ. for Advanced Studies, Okazaki, JAPAN

About 24000 protein structures are currently registered in the Protein Data Bank (PDB), but most of them are structures of soluble proteins, and the number of membrane protein structures is less than 100, because of technical difficulties in experiments such as high quality crystal growth. However, it is estimated that 20-30 % of all genes in most genomes encode membrane proteins, and it is therefore desirable to develop a simulation method for membrane protein structure predictions. In this talk, I present the details of our new prediction method.

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