Molecular dynamics simulations of ssDNA and gmp/G-quadruplex

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Authors
Wilbanks, Cecily C.
Issue Date
2015-08
Type
Electronic thesis
Thesis
Language
ENG
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Chemistry
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Abstract
Even as more information becomes available using experimental methods, chemistry is evolving into a discipline in which both theoretical and experimental aspects can be used to better understand and interpret chemical processes and mechanisms. Molecular dynamics simulations provide a means by which we may explore atomic interactions within molecules in a straightforward and cost-effective manner. Here we use molecular dynamics to study two separate but related areas of research in the McGown group: self-assembly of guanosine monophosphate (GMP) into G-quadruplex (G4) structures, and the mechanism of separation of same-length, single-stranded DNA based on sequence in capillary zone electrophoresis.
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August 2015
School of Science
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Rensselaer Polytechnic Institute, Troy, NY
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