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- W2078126071 endingPage "32" @default.
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- W2078126071 abstract "An understanding of the interactions of membrane proteins with a lipid bilayer environment is central to relating their structure to their function and stability. A high-throughput approach to prediction of membrane protein interactions with a lipid bilayer based on coarse-grained Molecular Dynamics simulations is described. This method has been used to develop a database of CG simulations (coarse-grained simulations) of membrane proteins (http://sbcb.bioch.ox.ac.uk/cgdb). Comparison of CG simulations and AT simulations (atomistic simulations) of lactose permease reveals good agreement between the two methods in terms of predicted lipid headgroup contacts. Both CG and AT simulations predict considerable local bilayer deformation by the voltage sensor domain of the potassium channel KvAP." @default.
- W2078126071 created "2016-06-24" @default.
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- W2078126071 date "2008-01-22" @default.
- W2078126071 modified "2023-10-10" @default.
- W2078126071 title "Coarse-grained simulation: a high-throughput computational approach to membrane proteins" @default.
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- W2078126071 doi "https://doi.org/10.1042/bst0360027" @default.
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