The interaction of a cell with its environment occurs at the cell membrane. Typically, binding of a signal ligand to a protein receptor introduces a change in the receptor that propagates to the cytoplasmic end of the receptor, causing binding or release of a second ligand. Such long-distance signal propagation through the receptor is referred to as the allosteric effect. Understanding the mechanism of the allosteric effect in membrane proteins is fundamentally important for modern drug design/discovery. Lizhe Zhu investigates the allosteric mechanism of bacterial chemoreceptors via all-atom Molecular Dynamics simulations of the HAMP domains - the signal conversion module of these receptors.
L. Zhu, Communicating Helices: Molecular Simulation of Allosteric Receptor Proteins.
Prof. P.G. Bolhuis
Dr J. Vreede
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