D. R. Hekstra

MatchMaps computes difference maps between non-isomorphous crystallographic datasets, improving sensitivity to conformational changes without requiring structure refinement of the perturbed state.

This study identifies conformational changes in DHFR that mediate its two-step catalytic mechanism through experimental perturbations and X-ray diffraction.

This paper introduces a room-temperature data collection strategy for native SAD phasing, demonstrating its effectiveness in solving macromolecular structures with high-quality datasets.

Reciprocalspaceship is a Python library that provides tools for analyzing crystallographic data by extending pandas with methods for handling diffraction data.

This paper introduces a Bayesian framework using deep learning and variational inference to merge X-ray diffraction data, improving the detection of conformational changes and anomalous scattering.