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- 2Polyethylenimine
- 1All-atom Simulation
- 1DNA
- 1DNA aggregation
- 1Lipid Substitution
- 1Molecular-dynamics
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Molecular Dynamics Simulations of Polyethylenimine Mediated Nucleic Acid Complexation with Implications for Non-viral Gene Delivery
DownloadSpring 2013
Gene therapy is a promising therapeutic technique that involves delivering nucleic acids into cells. Polycations have evolved into a major category of gene carriers. Polyethylenimine (PEI) is one of the most effective polycationic carriers. Furthermore, modifying PEI with certain lipophilic...
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Spring 2013
The aggregation of DNA molecules induced by cationic polymers is of importance to applications in gene delivery. In this work, we performed a series of umbrella sampling molecular dynamics simulations to calculate the potential of mean force (PMF) between two DNA molecules in the presence of...
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