Conformational ensembles of intrinsically disordered proteins and flexible multidomain proteins

FE Thomasen, K Lindorff-Larsen - Biochemical Society …, 2022 - portlandpress.com
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 …

Developments in small-angle X-ray scattering (SAXS) for characterizing the structure of surfactant-macromolecule interactions and their complex

R Chen, Y Song, Z Wang, H Ji, Z Du, Q Ma… - International Journal of …, 2023 - Elsevier
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 …

Chemical screening by time-resolved X-ray scattering to discover allosteric probes

CA Brosey, TM Link, R Shen, D Moiani… - Nature chemical …, 2024 - nature.com
Drug discovery relies on efficient identification of small-molecule leads and their interactions
with macromolecular targets. However, understanding how chemotypes impact …

Evolving experimental techniques for structure-based drug design

C Aplin, SK Milano, KA Zielinski, L Pollack… - The Journal of …, 2022 - ACS Publications
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 …

Thermodynamic bounds on generalized transport: From single-molecule to bulk observables

C Dieball, A Godec - Physical Review Letters, 2024 - APS
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 structures and dynamics with Å resolution revealed by x-ray free-electron lasers

KA Zielinski, S Sui, SA Pabit, DA Rivera, T Wang… - Science …, 2023 - science.org
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 …

Time-resolved X-ray solution scattering unveils the events leading to hemoglobin heme capture by staphylococcal IsdB

O De Bei, M Marchetti, S Guglielmo… - Nature …, 2025 - nature.com
Infections caused by Staphylococcus aureus depend on its ability to acquire nutrients. One
essential nutrient is iron, which is obtained from the heme of the human host hemoglobin …

[HTML][HTML] Structural dynamics of proteins explored via time-resolved x-ray liquidography

Y Lee, H Lee, H Ihee - Chemical Physics Reviews, 2022 - pubs.aip.org
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 …

Next-Generation Computational and Experimental Tools for Understanding Nucleation and Growth of Metal–Organic Frameworks

RR Bhawnani, OM Barreto, PKR Podupu… - ACS Materials …, 2025 - ACS Publications
In-situ characterization techniques, although complex, can provide a wealth of insight into
material chemistry and evolution dynamics. Gras** the fundamental kinetics of material …

Myofilament-associated proteins with intrinsic disorder (MAPIDs) and their resolution by computational modeling

B Sun, PM Kekenes-Huskey - Quarterly reviews of biophysics, 2023 - cambridge.org
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 …