Topic: coarse-grained molecular dynamics

Richard Huang investigates how DNA nanostructures deform under uneven hydrodynamic forces, a question relevant to drug delivery, vaccines and biosensors. Coarse-grained molecular dynamics and mechanical models first examine linear and circular DNA in extensional flow. Drag concentrates tension near the middle of linear duplexes, disrupting base pairs and causing overstretching. Deforming minicircles straighten along their sides while concentrating bending into opposing tips and localized kinks. Models based on DNA elasticity and hydrodynamic-force distributions explain these responses, then ex