The structures of two species of potato carboxypeptidase inhibitor with nonnative disulfide bonds were determined by molecular dynamics simulations in explicit solvent using disulfide bond constraints that have been shown to work for the native species. Ten structures were determined; five for scrambled A (disulfide bonds between Cys8-Cys27, Cys12-Cys18, and Cys24-Cys34) and five for the scramb...

P hysicists have long wondered whether and how isolated quantum systems thermalize—questions that are relevant to systems as diverse as ultracold atomic gases and black holes. Recent theoretical and experimental advances are bringing fresh insight into this line of inquiry. At one extreme, researchers have shown that disorder can fully arrest thermalization in certain isolated many-body quantum...

The classification of high-dimensional data defined on graphs is particularly difficult when the graph geometry is unknown. We introduce a Haar scattering transform on graphs, which computes invariant signal descriptors. It is implemented with a deep cascade of additions, subtractions and absolute values, which iteratively compute orthogonal Haar wavelet transforms. Multiscale neighborhoods of ...