Browsing by Author "Ploetz, Elizabeth Anne"

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Browsing by Author "Ploetz, Elizabeth Anne"

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  • Ploetz, Elizabeth Anne (Kansas State University, 2014)
    The Kirkwood-Buff (KB) theory of solutions, published in 1951, established a route from integrals over radial (pair) distribution functions (RDFs) in the grand canonical ensemble to a set of thermodynamic quantities in an ...
  • Ploetz, Elizabeth Anne (Kansas State University, 2010)
    We are developing a force field (FF) for molecular dynamics (MD) simulations of peptides and small proteins that is grounded in the Kirkwood-Buff theory of solutions. Here we present the Kirkwood-Buff Force Field (KBFF) ...