Bioinformatics and MD approaches are highly complementary tools for structural predictions. We have used these two approaches together to investigate^s^ructural and functional properties of tetrameric voltage-gated ion channels for which structural information is completely (CNG channels) or partially (HCN channels) lacking,. Besides their predicting power, MD simulations have allowed to provide insights on functional properties of HCN channels. In addition, bioinformatics has allowed extending many of our findings obtained for a protein from one specific organism to the entire class of HCN and CNG channels, and MD to other proteins featuring the same fold but with totally different function.
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机译：生物信息学和MD方法是结构预测的高度互补工具。我们已经使用这两种方法一起研究了四聚体电压门通道的^ S ^ ^ S ^气块和功能性，其结构信息完全（CNG通道）或部分（HCN通道）缺乏。除了他们预测的力量之外，MD仿真还允许提供关于HCN通道功能特性的见解。此外，生物信息学允许将来自一种特异性生物体的蛋白质的许多发现延伸到全类HCN和CNG通道，以及其他蛋白质的MD，其具有相同折叠但具有完全不同的功能。
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