K. L. Weiss

Revealing the atomic and electronic mechanism of human manganese superoxide dismutase product inhibition

The paper investigates the mechanism of product inhibition in human MnSOD by combining neutron diffraction and X-ray absorption spectroscopy to determine the atomic and electronic structures of the enzyme in different states.

Structural characterization of an intrinsically disordered protein complex using integrated small-angle neutron scattering and computing

The paper characterizes the structural ensemble of an IDP complex using SANS, MD simulations, and a deep learning algorithm, revealing distinct conformational clusters.

Inhibitor Binding Modulates Protonation States in the Active Site of SARS-CoV-2 Main Protease

This study uses neutron crystallography to show that inhibitor binding changes protonation states of three histidine residues in SARS-CoV-2 Mpro, providing insights for drug design.

Direct detection of coupled proton and electron transfers in human manganese superoxide dismutase

This study uses neutron diffraction to directly observe proton and electron transfer mechanisms in MnSOD, revealing structural changes linked to redox states.

Protonation states in SARS-CoV-2 main protease mapped by neutron crystallography

This study determines the protonation states of SARS-CoV-2 main protease using neutron crystallography, revealing a zwitterionic active site with specific charge states of key residues.