TCB Publications - Abstract

Fangqiang Zhu, Emad Tajkhorshid, and Klaus Schulten. Molecular dynamics study of aquaporin-1 water channel in a lipid bilayer. FEBS Letters, 504:212-218, 2001.

ZHU2001 The aquaporin-1 water channel was modeled in a POPC lipid bilayer, by means of molecular dynamics simulations. Interaction of the protein with the membrane and inter-monomer interactions were analyzed. Structural features of the channel important for its biological function, including the NPA motifs, and the diffusion of water molecules into the channels, were investigated. Simulations revealed the formation of single file water inside the channels for certain relative positions of the NPA motifs.

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