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Modeling The Interactions Of Divalent Metal Cations With A Monolayer, Lacey Labee
Modeling The Interactions Of Divalent Metal Cations With A Monolayer, Lacey Labee
Arkansas Women in STEM Conference
Understanding how divalent metal cations affect DNA binding to an 11-mercaptoundecanoic acid (MUA) monolayer, allows us to improve the specificity and efficiency of DNA-based nanodevices. Applications of DNA-based nanoscale devices include, but are not limited to biosensing, imaging, catalysis, and energy conversion. Classical molecular dynamics is used to model how the metal cations Ca2+, Sr2+, and Ba2+ interact with a MUA monolayer. Using Gromacs, a computer software system, the behavior of these metal cations can be modeled over time using force fields. Force fields are mathematical equations that represent and model the behavior of different species. Tilt angles of metal …