Physics Commons^™

Characterization Of Hydrophobic Interactions Of Polymers With Water And Phospholipid Membranes Using Molecular Dynamics Simulations, Mihaela Drenscko

Dissertations, Theses, and Capstone Projects

Polymers and lipid membranes are both essential soft materials. The structure and hydrophobicity/hydrophilicity of polymers, as well as the solvent they are embedded in, ultimately determines their size and shape. Understating the variation of shape of the polymer as well as its interactions with model biological membranes can assist in understanding the biocompatibility of the polymer itself. Computer simulations, in particular molecular dynamics, can aid in characterization of the interaction of polymers with solvent, as well as polymers with model membranes. In this thesis, molecular dynamics serve to describe polymer interactions with a solvent (water) and with a lipid membrane. …