S. H. P. de Oliveira

The paper measures conformational heterogeneity of protein side chains in ligand-bound and unbound states and finds that ligand binding increases flexibility in distant residues and correlates with inhibitor properties.

qFit 3 automates multiconformer modeling of dynamic proteins from X-ray and cryo-EM data, offering improved efficiency and accessibility.

This study uses mix-and-inject XFEL crystallography to observe conformational changes in isocyanide hydratase during catalysis, showing how cysteine modification affects enzyme dynamics and function.