Journal
JOURNAL OF MOLECULAR MODELING
Volume 20, Issue 8, Pages -Publisher
SPRINGER
DOI: 10.1007/s00894-014-2395-1
Keywords
alpha beta-Tubulin dimer; Electric field; Molecular dynamics; Young's modulus
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The mechanical properties of the alpha beta-tubulin dimer of microtubules was modeled by using the molecular dynamics (MD) simulation method. The effect on the mechanical properties of the dimer of the existence and nonexistence of an applied electric field, either constant or periodic, was studied. Since there are charged or polar groups in the dimer structure, the electric field can interact with the dimer. The elastic constant and Young's modulus of the dimer were decreased when the dimer was exposed to a constant electric field of 0.03 V/nm. Furthermore, applying an oscillating electric field in the 1 GHz range to the dimer increased the elastic constant and Young's modulus of the dimer. These parameters were related to dimer rigidity and, consequently, in this frequency range, the application of electric fields may affect the function of microtubules.
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