John M. McBride

The paper introduces IFACE, a method to compute geometric-chemical distances between protein surfaces and provides surface maps, showing improved performance over existing methods in classification and clustering.

The paper uses AlphaFold2 to predict structural deformation from mutations and finds that physical strain correlates well with experimental folding free energy changes, suggesting structures encode energy landscape details.

This paper surveys chemical and geometric patterns on protein surfaces and compares them to nanoparticle ligand patterns, finding similarities and differences that inform synthetic nanoparticle design.