Molecular Dynamics Simulations of the Neu Transmembrane Domain » książka
Molecular Dynamics Simulations of the Neu Transmembrane Domain
ISBN-13: 9783639127621 / Angielski / Miękka / 2009 / 196 str.
Neu is a membrane-bound protein whose structureincludes a single helix which spans the width of acellular membrane. It is a growth factor receptorwhich dimerizes (forms pairs) when signaling cellgrowth and proliferation. Key mutations at a specificlocation in the transmembrane domain (TMD) of the neuprotein have been demonstrated to result in permanentdimerization of mutated pairs, and are simultaneouslyassociated with the formation of cancerous tumors.The physical effects of these key point mutationsthat lead to such permanent dimerization are notknown. Atomistic molecular dynamics (MD) simulations,whereby Newtons equations of motion are numericallysolved for the atoms in the neu TMD and itssurrounding membrane environment, provide furtherphysical insight into this important problem. Thisbook reviews the MD simulation method as well asprevious work characterizing the neu protein; thebook further examines the results of detailed MDsimulations of native and mutant neu TMDs in hydratedmembrane environments. The reader should have somebasic background in biophysical chemistry, Newtoniandynamics, and statistical mechanics.
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