Nanomedicine, the integration of nanotechnological tools in medicine demonstrated
promising potential to revolutionize the diagnosis and treatment of various human health …

Neutron crystallography has had an important, but relatively small role in structural biology
over the years. In this review of recently determined neutron structures, a theme emerges of …

Approximately 85% of the structures deposited in the Protein Data Bank have been solved
using X-ray crystallography, making it the leading method for three-dimensional structure …

A protocol to generate parameters for the AMOEBA polarizable force field for small organic
molecules has been established, and polarizable atomic ty** utility, Poltype, which fully …

The opportunistic pathogen Pseudomonas aeruginosa, a major cause of nosocomial
infections, uses carbohydrate-binding proteins (lectins) as part of its binding to host cells …

Hydrogen atoms play key roles in enzyme mechanism, but as this study shows, even high-
quality X-ray data to a resolution of 1 Å cannot directly visualize them. Neutron diffraction …

Carboxyl and carboxylate groups form important supramolecular motifs (synthons). Besides
carboxyl cyclic dimers, carboxyl and carboxylate groups can associate through a single …

Well-ordered water molecules are displaced from thrombin's hydrophobic S3/4-pocket by P3-
varied ligands (Gly, d-Ala, d-Val, d-Leu to d-Cha with increased hydrophobicity and steric …

Lectins are proteins that can bind specifically and reversibly to carbohydrates. This capacity
gives lectins multiple biological roles and biotechnological applications. Although lectins …

Neutron crystallography allows direct determination of the proton and deuteron positions of
a macromolecule and its bound solvent. Key advances in neutron macromolecular …