Intrinsically disordered proteins (IDPs) and multidomain proteins with flexible linkers show a
high level of structural heterogeneity and are best described by ensembles consisting of …

The surfactant-macromolecule interactions (SMI) are one of the most critical topics for
scientific research and industrial application. Small-angle X-ray scattering (SAXS) is a …

We prove that the transport of any differentiable scalar observable in d-dimensional
nonequilibrium systems is bounded from above by the total entropy production scaled by the …

RNA macromolecules, like proteins, fold to assume shapes that are intimately connected to
their broadly recognized biological functions; however, because of their high charge and …

Structure-based drug design (SBDD) is a prominent method in rational drug development
and has traditionally benefitted from the atomic models of protein targets obtained using X …

Relevant events during protein function such as ligand binding/release and interaction with
substrates or with light are often accompanied by out-of-equilibrium structural dynamics …

Drug discovery relies on efficient identification of small-molecule leads and their interactions
with macromolecular targets. However, understanding how chemotypes impact …

The cardiac sarcomere is a cellular structure in the heart that enables muscle cells to
contract. Dozens of proteins belong to the cardiac sarcomere, which work in tandem to …

The structure of a protein is closely related to its biological function. In this regard, structural
changes, as well as static structures, have been scrutinized as essential elements in …

The unfolding dynamics of ubiquitin were studied using a combination of x-ray solution
scattering (XSS) and molecular dynamics (MD) simulations. The kinetic analysis of the XSS …