By forming extended hydrogen-bond networks, the contribution of hydroxyl groups to affinity
can reach several orders of magnitude. However, because of the high directionality of their …

The number of macromolecular structures deposited in the Protein Data Bank now
approaches 100 000, with the vast majority of them determined by crystallographic methods …

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 …

The amyloid hypothesis asserts that excess production or reduced clearance of the amyloid-
β (Aβ) peptides in the brain initiates a sequence of events that ultimately lead to Alzheimer's …

Druglike molecules are defined by Lipinski's rule of 5, to characterize fragment thresholds,
they have been reduced from 5 to 3 (Astex's rule of 3). They are applied to assemble …

Low-barrier hydrogen bonds (LBHBs) are a special type of short hydrogen bond (HB) that is
characterized by the equal sharing of a hydrogen atom. The existence and catalytic role of …

Experimental evidence for enzymatic mechanisms is often scarce, and in many cases
inadvertently biased by the employed methods. Thus, apparently contradictory model …

Fragment‐based drug design (FBDD) affords active compounds for biological targets. While
there are numerous reports on FBDD by fragment growing/optimization, fragment linking has …

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 …

γ-Secretase (GS) is an intramembrane aspartyl protease that participates in the sequential
cleavage of C99 to generate different isoforms of the amyloid-β (Aβ) peptides that are …