Vaccination is a modality that has been widely explored for the treatment of various
diseases. To increase the potency of vaccine formulations, immunostimulatory adjuvants …

The stimulator of interferon genes (STING) is an adaptor protein involved in the activation of
IFN-β and many other genes associated with the immune response activation in vertebrates …

STING, an endoplasmic reticulum (ER)-resident receptor for cyclic di-nucleotides (CDNs), is
essential for innate immune responses. Upon CDN binding, STING moves from the ER to …

Cyclic dinucleotides (CDNs) trigger the cyclic GMP-AMP synthase-stimulator of interferon
genes (cGAS-STING) pathway, which plays a key role in cytosolic DNA sensing and thus in …

Cyclic dinucleotides (CDNs) are second messengers that bind to the stimulator of interferon
genes (STING) and trigger the expression of type I interferons and proinflammatory …

Cyclic dinucleotides (CDNs) are second messengers that activate stimulator of interferon
genes (STING). The cGAS-STING pathway plays a promising role in cancer immunotherapy …

Small-molecule conformer generation (SMCG) is an extremely important task in both ligand-
and structure-based computer-aided drug design, especially during the hit discovery phase …

Monkeypox, or mpox, is a disease that has recently resurfaced and spread across the globe.
Despite the availability of an FDA-approved vaccine (JYNNEOS) and an effective drug …

Fast and accurate assessment of small-molecule dihedral energetics is crucial for molecular
design and optimization in medicinal chemistry. Yet, accurate prediction of torsion energy …

Quantum and molecular mechanics (QM/MM) and QM-only (cluster model) modeling
techniques represent the two workhorses in mechanistic understanding of enzyme catalysis …