| 초록 |
Interactions of peptides, nanoparticles, polymers, and membranes have been studied using all-atom and coarse-grained molecular dynamics simulations. The following topics will be presented: (1) membrane curvature and pore formation induced by differently sized, charged, and shaped nanoparticle (dendrimer) and linear polymer; (2) conformation and hydrodynamics of polyethylene glycol (PEG) in water and on surface; (3) self-assembly and phase behavior of PEG-conjugated liposomes, bicelles, and micelles. This work aids in the rational design of synthetic peptides, nanoparticles, and drug complexes for drug delivery, and development of accurate nanopores for biosensor applications. |
