Structural features of proteins often serve as signatures of their biological function and molecular binding activity. Elucidating these structural and dynamical features is essential for …
Here we investigated the fracture and wrinkling in graphene with topological defects using atomistic simulations and continuum models. We first studied the flaw insensitive fracture …
Carbon nanotubes (CNTs) have the potential to introduce significant improvements in fracture strength and toughness of ceramic materials when compared to traditional microscale reinforcements. Ceramic …
How nanomaterials interact with biological systems is of fundamental interest to a wide range of applications, including drug delivery, therapeutics, bioimaging, nanotoxicity and regulation. In …
Ser/Thr phosphatases dephosphorylate their targets with high specificity, yet the structural determinants of substrate recognition and dephosphorylation are poorly understood. Calcineurin (CN) is a conserved …
Through coarse grained molecular dynamics (CGMD) simulations and theoretical models, we show that, depending on the radius, a carbon nanotube can enter a cell either …
The work presented here describes two major problems: 1) Structural evolution of graphene oxide layers during thermal reduction using combined numerical methods and experimental measurements, …
