Sarah Rauscher

The paper introduces Zephyr, a diffusion model for generating structural ensembles of disordered proteins, achieving high accuracy and faster sampling than molecular dynamics simulations.

The paper characterizes the multi-timescale structural dynamics of the p53 transactivation domain using NMR and simulations, revealing a hierarchical energy landscape.

This study investigates PEG-induced structural and dynamical changes in mCherry using simulations and experiments, revealing specific PEG-mCherry interactions beyond classical crowding effects.

This study investigates how the N642H mutation in STAT5B stabilizes the parallel dimer through changes in hydrogen bonding, using molecular dynamics simulations and HDX mass spectrometry.

This paper uses molecular dynamics simulations to analyze the TRIM5α PRYSPRY domain interaction with HIV capsid, revealing structural differences between human and rhesus TRIM5 that explain HIV restriction efficiency.

This study uses molecular dynamics simulations to analyze the conformational behavior of SARS-CoV-2 Mpro loops and their relationship with substrate binding and allosteric communication.

The paper introduces superimposition-free metrics to compare conformational ensembles of intrinsically disordered proteins by analyzing residue-residue distance distributions.