Billy K. Poon

AQuaRef uses machine learning to refine protein structures with quantum accuracy at lower computational cost, improving geometric quality and experimental data fit.

The paper introduces cctbx.xfel, a suite for processing serial crystallographic data, enabling real-time analysis and merging of diffraction images from synchrotrons and XFELs.

The paper introduces a likelihood-based local docking method for cryo-EM maps, improving speed and sensitivity when component locations are known, implemented in ChimeraX.

The paper introduces new computational tools for validating cryo-EM maps and atomic models, including methods for resolution estimation, map sharpening, and map analysis.

The paper describes real-space refinement in Phenix for improving cryo-EM models using additional restraints and shows significant model improvement.