Now showing items 1-4 of 4
Rapid Exploration of Configuration Space with Diffusion-Map-Directed Molecular Dynamics
(American Chemical Society, 2013)
The gap between the time scale of interesting behavior in macromolecular systems and that which our computational resources can afford often limits molecular dynamics (MD) from understanding experimental results and ...
Predictive energy landscapes for folding α-helical transmembrane proteins
(National Academy of Sciences, 2014)
We explore the hypothesis that the folding landscapes of membrane proteins are funneled once the proteins' topology within the membrane is established. We extend a protein folding model, the associative memory, water-mediated, ...
Coevolutionary signals across protein lineages help capture multiple protein conformations
(National Academy of Sciences, 2013)
A long-standing problem in molecular biology is the determination of a complete functional conformational landscape of proteins. This includes not only proteins’ native structures, but also all their respective functional ...
Dye Quenching of Carbon Nanotube Fluorescence Reveals Structure-Selective Coating Coverage
(American Chemical Society, 2020)
Many properties and applications of single-wall carbon nanotubes (SWCNTs) depend strongly on the coatings that allow their suspension in aqueous media. We report that SWCNT fluorescence is quenched by reversible physisorption ...