Large-scale molecular dynamics simulations show titanium tetrachloride oxidation transitions from diffusion-limited to chemically controlled kinetics at 1773 K.
A computational study demonstrates that AI-guided and structure-based redesign of Sotrovimab can enhance predicted binding affinity against SARS-CoV-2 Omicron BA.2 ...
Researchers have discovered that the dietary flavonol fisetin inhibits the MERS coronavirus papain-like protease through a distinct destabilising mechanism targeting ...
Researchers used machine learning models and molecular dynamics simulations to identify five candidate core genes associated with aristolochic acid exposure ...
Computational modeling and cell culture experiments indicate that the flavonoid apigenin suppresses EGFR and STAT3 signaling pathways in glioma cells.
Researchers isolated a novel antioxidant decapeptide from two-year-fermented Sanchuan ham that protects cultured liver cells against oxidative damage and computationally ...
A combined regimen of geraniol and coenzyme Q10 significantly attenuated infarct size, oxidative stress, and inflammatory cascades in a rat ...
A new kosmotropic anion-polar anion-nucleophilic species electrolyte framework enables reversible four-electron iodine conversion in halogen-free aqueous metal-iodine batteries.
Researchers integrated transcriptomic datasets, Mendelian randomization, and computational modeling to evaluate how ferroptosis-related gene targets and traditional Chinese medicine compounds ...
Researchers synthesized fourteen novel 2-aminothiazole derivatives and identified two promising dual-targeting lead candidates through comprehensive computational modeling against mTOR and ...
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