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2D nanomaterials could cause structural disruption and cytotoxic effects to cells, which greatly challenges their promising biomedical applications including biosensing, bioimaging, and drug delivery. Here, the physical and mechanical interaction between lipid liposomes and hydrophobic nanosheets is studied utilizing coarse‐grained (CG) molecular dynamics (MD) simulations. The simulations reveal a...
Although 2D nanomaterials have shown promising biomedical applications, their sharp edges and hydrophobic interaction with phospholipids could wreak havoc with cell membranes. In article number 1804992, Jun Fan and co‐workers investigate molecular insights into the interaction between hydrophobic nanosheets and lipid membranes using molecular dynamics simulations. Many molecule motions and thermodynamics...
Understanding the molecular mechanisms governing nanoparticle–membrane interactions is of prime importance for drug delivery and biomedical applications. Neutron reflectometry (NR) experiments are combined with atomistic and coarse‐grained molecular dynamics (MD) simulations to study the interaction between cationic gold nanoparticles (AuNPs) and model lipid membranes composed of a mixture of zwitterionic...
In article number 1805046, Jaakko Akola, Marco Maccarini, and co‐workers use neutron reflectometry and molecular dynamics simulations to quantify how the interaction between cationic functionalized gold nanoparticles and model lipid membranes depends on temperature and the lipid charge. The combination of scattering studies and the computational approach provides a detailed molecular view of the mechanisms...
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