Abstract Structure-based virtual screening is a key tool in early drug discovery, with growing
interest in the screening of multi-billion chemical compound libraries. However, the success …

Enzymes offer a more environmentally friendly and low-impact solution to conventional
chemistry, but they often require additional engineering for their application in industrial …

The neurotransmitter dopamine has central roles in mood, appetite, arousal and movement.
Despite its importance in brain physiology and function, and as a target for illicit and …

Bacterial small molecule metabolites such as adenosine-diphosphate-d-glycero-β-d-manno-
heptose (ADP-heptose) and their derivatives act as effective innate immune agonists in …

Enzymes turnover substrates into products with amazing efficiency and selectivity and as
such have great potential for use in biotechnology and pharmaceutical applications …

Quantum computing, with its superior computational capabilities compared to classical
approaches, holds the potential to revolutionize numerous scientific domains, including …

Sleep is essential for overall health, and its disruption is linked to increased risks of
metabolic, cognitive, and cardiovascular dysfunctions; however, the molecular mechanisms …

Heteromeric pore-forming proteins often contain recognition patterns or stereospecific
selection filters. However, the construction of heteromeric pore-forming proteins for single …

Correctly ranking compounds according to their computed relative binding affinities will be of
great value for decision making in the lead optimization phase of industrial drug discovery …

The family of Ras-like GTPases consists of over 150 different members, regulated by an
even larger number of guanine exchange factors (GEFs) and GTPase-activating proteins …