Molecular Dynamics Calculations of the Electrostatic Properties of Tubulin and Their Consequences for Microtubules

J. A. Tuszynski; J. A. Brown; W. Malinski; E. J. Carpenter; E. Crawford; J. M. Dixon

doi:10.1109/ICMENS.2003.1221965

I
ICMENS
2003
2003 International Conference on MEMS, NANO and Smart Systems (ICMENS'03)
Abstract - Molecular Dynamics Calculations of the Electrostatic Properties of Tubulin and Their Consequences for Microtubules

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2003 International Conference on MEMS, NANO and Smart Systems (ICMENS'03)

Molecular Dynamics Calculations of the Electrostatic Properties of Tubulin and Their Consequences for Microtubules

Banff, Alberta, Canada

July 20-July 23

ISBN: 0-7695-1947-4

	ASCII Text	x
	J. A. Tuszynski, E. J. Carpenter, E. Crawford, J. A. Brown, W. Malinski, J. M. Dixon, "Molecular Dynamics Calculations of the Electrostatic Properties of Tubulin and Their Consequences for Microtubules," MEMS, NANO, and Smart Systems, International Conference on, pp. 56, 2003 International Conference on MEMS, NANO and Smart Systems (ICMENS'03), 2003.

	BibTex	x
	@article{ 10.1109/ICMENS.2003.1221965, author = {J. A. Tuszynski and E. J. Carpenter and E. Crawford and J. A. Brown and W. Malinski and J. M. Dixon}, title = {Molecular Dynamics Calculations of the Electrostatic Properties of Tubulin and Their Consequences for Microtubules}, journal ={MEMS, NANO, and Smart Systems, International Conference on}, volume = {0}, year = {2003}, isbn = {0-7695-1947-4}, pages = {56}, doi = {http://doi.ieeecomputersociety.org/10.1109/ICMENS.2003.1221965}, publisher = {IEEE Computer Society}, address = {Los Alamitos, CA, USA}, }

	RefWorks Procite/RefMan/Endnote	x
	TY - CONF JO - MEMS, NANO, and Smart Systems, International Conference on TI - Molecular Dynamics Calculations of the Electrostatic Properties of Tubulin and Their Consequences for Microtubules SN - 0-7695-1947-4 SP EP A1 - J. A. Tuszynski, A1 - E. J. Carpenter, A1 - E. Crawford, A1 - J. A. Brown, A1 - W. Malinski, A1 - J. M. Dixon, PY - 2003 KW - tubulin KW - kinesin KW - molecular dynamics KW - microtubules KW - electrostatics VL - 0 JA - MEMS, NANO, and Smart Systems, International Conference on ER -

J. A. Tuszynski, University of Alberta

E. J. Carpenter, University of Alberta

E. Crawford, University of Alberta

J. A. Brown, University of Alberta

W. Malinski, University of Alberta

J. M. Dixon, University of Warwick

DOI Bookmark: http://doi.ieeecomputersociety.org/10.1109/ICMENS.2003.1221965

We present the results of molecular dynamics computations based on the atomic resolution structures of tubulin published as 1TUB and 1JFF in the Protein Data Bank. Values of net charge, spatial charge distribution and Cartesian dipole moment components are obtained for the tubulin alpha-beta heterodimer. Physical consequences of these results and subsequent computations are discussed for microtubules in terms of the effects on test charges, test dipoles, and neighboring microtubules. Our calculations indicate typical distances over which electrostatic effects can be felt by biomolecules, ions, and other microtubules. We also demonstrate the importance of electrostatics in the formation of the microtubule lattice and the tubulin-kinesin binding strength.

Index Terms:

tubulin, kinesin, molecular dynamics, microtubules, electrostatics

Citation:

J. A. Tuszynski, E. J. Carpenter, E. Crawford, J. A. Brown, W. Malinski, J. M. Dixon, "Molecular Dynamics Calculations of the Electrostatic Properties of Tubulin and Their Consequences for Microtubules," icmens, pp.56, 2003 International Conference on MEMS, NANO and Smart Systems (ICMENS'03), 2003

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