Highlights•SAXS captures architecture and dynamics to elucidate molecular
ensembles.•SAXS advances now probe key thermodynamic and kinetic properties of …

Develo** new, more effective antibiotics against resistant Mycobacterium tuberculosis that
inhibit its essential proteins is an appealing strategy for combating the global tuberculosis …

Tuberculosis (TB) remains a serious threat to global public health, responsible for an
estimated 1.5 million mortalities in 2018. While there are available therapeutics for this …

Molecular Dynamics (MD) simulations seek to provide atomic-level insights into
conformationally dynamic biological systems at experimentally relevant time resolutions …

Molecular simulations can be utilized to predict protein structure ensembles and dynamics,
though sufficient sampling of molecular ensembles and identification of key biologically …

Combining size exclusion chromatography-small angle X-ray scattering (SEC-SAXS) and
molecular dynamics (MD) analysis is a promising approach to investigate protein behavior …

Recent advances in machine learning, bioinformatics, and the understanding of the folding
problem have enabled efficient predictions of protein structures with moderate accuracy …

Proteins are the driving force behind most cellular processes. Traditional methods for
determining protein structure are limited to probing only a few static structures of a given …

Energy landscape theory suggests that native interactions are a major determinant of the
folding mechanism of a protein. Thus, structure-based (Go̅) models have, aided by coarse …

抄録 Small-angle X-ray scattering (SAXS) for solution samples of biological
macromolecules, recently called BioSAXS, has been used to estimate the conformational …