Diffraction (X-ray, neutron and electron) and electron cryo-microscopy are powerful methods
to determine three-dimensional macromolecular structures, which are required to …

Small-angle scattering (SAS) is a technique that is able to probe the structural organization
of matter and quantify its response to changes in external conditions. X-ray and neutron …

Abstract Structure comparison and alignment are of fundamental importance in structural
biology studies. We developed the first universal platform, US-align, to uniformly align …

The ATSAS software suite encompasses a number of programs for the processing,
visualization, analysis and modelling of small-angle scattering data, with a focus on the data …

Abstract The US Research Collaboratory for Structural Bioinformatics Protein Data Bank
(RCSB PDB) serves many millions of unique users worldwide by delivering experimentally …

ProDy, an integrated application programming interface developed for modelling and
analysing protein dynamics, has significantly evolved in recent years in response to the …

Batteries are central to modern society. They are no longer just a convenience but a critical
enabler of the transition to a resilient, low-carbon economy. Battery development capabilities …

Abstract Protein Data Bank is the single worldwide archive of experimentally determined
macromolecular structure data. Established in 1971 as the first open access data resource in …

Abstract PDBx/mmCIF, Protein Data Bank Exchange (PDBx) macromolecular
Crystallographic Information Framework (mmCIF), has become the data standard for …

Residue-level coarse-grained (CG) models have become one of the most popular tools in
biomolecular simulations in the trade-off between modeling accuracy and computational …