The traditional computational modeling of protein structure, dynamics, and interactions
remains difficult for many protein systems. It is mostly due to the size of protein …

While the crucial role of intrinsically disordered proteins (IDPs) in the cell cycle is now
recognized, deciphering their molecular mode of action at the structural level still remains …

A major challenge in structural biology is to characterize structures of proteins and their
assemblies in solution. At low resolution, such a characterization may be achieved by small …

In this paper, the fundamental concepts and equations necessary for performing small angle
X-ray scattering (SAXS) experiments, molecular dynamics (MD) simulations, and MD-SAXS …

A new method called Pepsi-SAXS is presented that calculates small-angle X-ray scattering
profiles from atomistic models. The method is based on the multipole expansion scheme …

Hexanucleotide repeat expansion in C9ORF72 (C9) is the most prevalent mutation among
amyotrophic lateral sclerosis (ALS) patients. The patients carry over~ 30 to hundreds or …

Knowledge of protein structure is paramount to the understanding of biological function,
develo** new therapeutics, and making detailed mechanistic hypotheses. Therefore …

Small-angle and wide-angle X-ray scattering in solution (SAXS, WAXS, SWAXS) is an
increasingly accurate method for obtaining information on biomolecular structures …

Recent technological advances enabled high-throughput collection of Small Angle X-ray
Scattering (SAXS) profiles of biological macromolecules. Thus, computational methods for …

Conformational changes in nucleic acids play a key role in the way genetic information is
stored, transferred, and processed in living cells. Here, we describe new approaches that …