The molecular phenomena underlying multimodal chromatographic separations : a molecular dynamics study

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Authors
Bilodeau, Camille L.
Issue Date
2020-05
Type
Electronic thesis
Thesis
Language
ENG
Keywords
Chemical engineering
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Abstract
This thesis addresses these challenges by exploring the molecular nature of protein-multimodal ligand interactions using molecular dynamics simulations. First, we investigated these complex protein-ligand interactions by developing a representative model system consisting of two bonded molecules (the ligand) binding to a surface (the protein). In this simplified system, it was straightforward to develop an understanding of the nature of synergy as well as explore how the additional complexities affected synergy.
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May 2020
School of Engineering
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Rensselaer Polytechnic Institute, Troy, NY
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