Thomas C. Terwilliger

ROCKET refines AlphaFold2 predictions against crystallographic, cryo-EM and cryo-ET data by gradient descent on MSA cluster profiles, capturing loop flips and domain shifts without retraining.

The paper identifies density misfit barrier traps that limit macromolecular model accuracy and introduces a synthetic dataset to challenge and improve ensemble refinement algorithms.

The paper analyzes the DNA sequence and methylome of Jonathan, a 192-year-old giant tortoise, to identify epigenomic features associated with extreme longevity.

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.