scholarly journals Integration of external electric fields in molecular dynamics simulation models for resistive switching devices

2018 ◽  
Vol 123 (24) ◽  
pp. 245301 ◽  
Author(s):  
T. Gergs ◽  
S. Dirkmann ◽  
T. Mussenbrock
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Electric Fields ◽  
Resistive Switching ◽  
Simulation Models ◽  
Dynamics Simulation ◽  
External Electric Fields ◽  
Switching Devices

The effects of external electric fields of 900 MHz and 2450 MHz frequencies on αβ-tubulin dimer stabilized by paclitaxel: Molecular dynamics approach

2016 ◽  
Vol 15 (02) ◽  
pp. 1650010 ◽  
Author(s):  
S. S. Setayandeh ◽  
A. Lohrasebi
Keyword(s):  
Molecular Dynamics ◽  
Side Effects ◽  
Electric Fields ◽  
Cell Phone ◽  
Simulation Method ◽  
Dynamics Simulation ◽  
Microwave Frequencies ◽  
Tubulin Dimer ◽  
External Electric Fields ◽  
Negative Side Effects

Using molecular dynamics simulation method, the effects of external electric fields of 900[Formula: see text]MHz and 2450 frequencies on [Formula: see text]-tubulin dimer stabilized by paclitaxel, have been modeled. Due to this purpose, two systems, (A) [Formula: see text]-tubulin dimer and (B) [Formula: see text]-tubulin dimer stabilized by paclitaxel, were exposed to an external electric field of 0.01[Formula: see text]V/nm with frequency values of 900[Formula: see text]MHz and 2450[Formula: see text]MHz. It was found that application of these fields, which are in the range of cell phone and microwave frequencies, increased the flexibility of each system. Since paclitaxel, as chemotherapy drug, is used to increase the rigidity of dimer, application of such fields may disturb the effect of paclitaxel on the dimer. Consequently, negative side effects on the chemotherapy process may be observed.

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