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Molecular dynamics simulations of tubulin structure and calculations of electrostatic properties of microtubules. (English) Zbl 1081.92020

Summary: We present the results of molecular dynamics computations based on the atomic resolution structure of tubulin. Values of net charge, charge distribution and dipole moment components are obtained for the tubulin heterodimer. Physical consequences of these results are discussed for microtubules in terms of the effects on test charges, test dipoles, and neighboring microtubules.

MSC:

92C40 Biochemistry, molecular biology
92C05 Biophysics
92C37 Cell biology
78A70 Biological applications of optics and electromagnetic theory

Software:

CHARMM; APBS; AMBER; RasMol
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Full Text: DOI

References:

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