Selina Nawaz

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The MARTINI coarse-grain (CG) force field is extended for a class of triblock block copolymers known as Pluronics. Existing MARTINI bead types are used to model the non-bonded part of the potential while single chain properties for both homopolymers, poly(ethylene oxide) (PEO) and poly(propylene oxide) (PPO), are used to develop the bonded interactions. The(More)
By means of atomistic molecular dynamics simulations, we investigate the structure and stability of alkyl-modified polyamido-amide (PAMAM) dendrimers at the air/water interface as a function of the number and the relative position of the modified end groups. We find that the PAMAM dendrimer with all terminal groups functionalized is more stable at the(More)
The interactions of poly(ethylene oxide)-co-poly(propylene oxide) tri-block copolymers (PEO-PPO-PEO block copolymers, Pluronics®, Synperonics®, Poloxamers) of differing chemical composition with cell membranes were systematically investigated in order to clarify the mechanisms behind their previously reported various cellular responses. Relationships(More)
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