It is easy for today's students and researchers to believe that modern bioinformatics
emerged recently to assist next-generation sequencing data analysis. However, the very …

Generic residue numbers facilitate comparisons of, for example, mutational effects, ligand
interactions, and structural motifs. The numbering scheme by Ballesteros and Weinstein for …

The ribosome is a major target for clinically used antibiotics, but multidrug resistant
pathogenic bacteria are making our current arsenal of antimicrobials obsolete. Here we …

Modern chemistry seems to be unlimited in molecular size and elemental composition. Metal‐
organic frameworks or biological macromolecules involve complex architectures and a large …

The quality of diffraction data obtained using silver and molybdenum microsources has been
compared for six model compounds with a wide range of absorption factors. The …

Genetic alterations in the fibroblast growth factor receptor (FGFR) pathway are promising
therapeutic targets in many cancers, including intrahepatic cholangiocarcinoma (ICC). The …

Predicting protein–ligand binding affinities and the associated thermodynamics of
biomolecular recognition is a primary objective of structure-based drug design. Alchemical …

The new empirical rules for protein p K a predictions implemented in the PROPKA3. 0
software package (Olsson et al. J. Chem. Theory Comput. 2010, 7, 525–537) have been …

Molecular structure does not easily identify the intricate noncovalent interactions that govern
many areas of biology and chemistry, including design of new materials and drugs. We …

Background α-Amylase plays an important role in starch digestion, the main source of
exogenous glucose in the human diet. Retarding glucose absorption through delaying …