Browsing K-State Electronic Theses, Dissertations, and Reports: 2004 - by Author "Kang, Myungshim"

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Molecular dynamics simulations and theory of intermolecular interactions in solutions

Kang, Myungshim (Kansas State University, 2009-03-04)

In the study of biological systems, molecular dynamics (MD) simulations have played an important role in providing atomic details for phenomena of interest. The force field used in MD simulations is a critical factor ...