Kevin M. Dalton

The paper develops open-source software to analyze symmetry breaking in macromolecular crystallography under vectorial perturbations and applies it to three time-resolved experiments.

This paper improves the detection of protein dynamics and drug fragment binding by combining a Bayesian framework with multivariate statistical theory for comparative crystallography.

SFCalculator connects deep generative models with crystallography by generating crystallographic observables from molecular structures, enabling better integration of experimental data and machine learning.

This paper applies variational inference to time-resolved diffraction data of an enzyme to extract high signal-to-noise changes in electron density and evaluates hyperparameter impact.

Laue-DIALS is an open-source software pipeline for analyzing polychromatic X-ray diffraction data, enabling efficient processing and integration of diffraction intensities with wavelength correction.

This study uses mix-and-inject serial crystallography to resolve the catalytic mechanism of DJ-1, showing it catalyzes nearly two turnovers and reveals allosteric communication during glyoxalase activity.