Paul Langan

TL;DR: The room temperature X-ray structure of unliganded SARS-CoV-2 3CL Mpro is reported, revealing the ligand-free structure of the active site and the conformation of the catalytic site cavity at near-physiological temperature, which suggests that the room temperature structure may provide more relevant information at physiological temperatures for aiding in molecular docking studies.

TL;DR: In this article, the crystal and molecular structure of cellulose IIII was determined using synchrotron X-ray and neutron fiber diffraction data, and a detailed comparison of the crystal structure and hydrogen-bonding system reported in this paper with those reported previously for other cellulose polymorphs is given.

TL;DR: The implementation of crystallographic structure-refinement procedures that include both X-ray and neutron data (separate or jointly) in the PHENIX system is described.

TL;DR: Small angle neutron scattering studies have been carried out on cellulose fibers from ramie and Populus maximowicii, and the leveling off degree of polymerization (LODP) of the hydrolyzed samples matched exactly the periodicity observed in the diffraction studies.

TL;DR: In this paper, the morphological changes in biomass during steam explosion pretreatment were investigated, showing that cellulose dehydration and lignin-hemicellulose phase separation are the main driving forces for biomass degradation.