The COVID-19 pandemic has spurred intense research efforts to identify effective treatments
for SARS-CoV-2. In silico studies have emerged as a powerful tool in the drug discovery …

Computer-Aided Drug Design (CADD) approaches, such as those employing quantitative
structure-activity relationship (QSAR) methods, are known for their ability to uncover novel …

Molecular dynamics simulation is a widely employed computational technique for studying
the dynamic behavior of molecular systems over time. By simulating macromolecular …

Long-chain fatty acids (LCFAs) are one of the main energy-supplying substances in the
body. LCFAs with different lengths and saturations may have contrasting biological effects …

The urgency of finding therapeutic solutions for emerging and existing health challenges
has never been more pronounced. In the pursuit of this goal, the value of a strategy that …

The COVID-19 pandemic, caused by severe acute respiratory syndrome coronavirus 2
(SARS-CoV-2), sparked an international debate on effective ways to prevent and treat the …

Rapidly predicting enzyme properties for catalyzing specific substrates is essential for
identifying potential enzymes for industrial transformations. The demand for sustainable …

How the protein− protein interactions affect the phase behaviour of protein complexes can
afford technical support for the application of egg white protein in food industry. Here the …

Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is a single-stranded
enveloped positive RNA virus and the cause of the ongoing coronavirus disease 2019 …

Background and aims Advances in health, especially in prevention, diagnosis, and
treatment, have significantly impacted the way of facing emerging infectious diseases. Yet …