Accurate calculation of drug-target affinity (DTA) is crucial for various applications in the
pharmaceutical industry, including drug screening, design, and repurposing. However …

[NiFe]-hydrogenases catalyze the reversible activation of H2 using a unique NiFe (CN) 2CO
metal site, which is assembled by a sophisticated multiprotein machinery. The [4Fe–4S] …

Artificial intelligence has revolutionized the field of protein structure prediction. However,
with more powerful and complex software being developed, it is accessibility and ease of …

Background Accurately identifying drug-target interaction (DTI), affinity (DTA), and binding
sites (DTS) is crucial for drug screening, repositioning, and design, as well as for …

Wnt signaling orchestrates gene expression in a plethora of processes during development
and adult cell homeostasis via the action of nuclear β-catenin. Furthermore, neoplasia of the …

The rapid growth in the number of sequenced genomes makes it possible to search for the
appearance of entirely new introns in the human lineage. In this study, we compared the …

Engineered receptors play increasingly important roles in transformative cell-based
therapies. However, the structural mechanisms that drive differences in performance across …

Many essential conserved functions depend, paradoxically, on proteins that evolve rapidly
under positive selection. How such adaptively evolving proteins promote biological …

Peroxisomes are metabolic organelles essential for human health. Defects in peroxisomal
biogenesis proteins (peroxins/PEXs) cause devastating disease. PEX7 binds newly …

Computational methods for the accurate prediction of protein folding based on amino acid
sequences have been researched for decades. The field has been significantly advanced in …