Jiankun Lyu

In chronically stimulated human T cells, suppressed oxidative metabolism and nucleotide loss accompany MAP2K4 activation. Inhibiting MAP2K4 (with the MKK4/7 inhibitor BSJ-04-122) restored tumor-cell killing in vitro.

Retrospective and prospective benchmarks show AlphaFold3 co-folding memorizes training poses and achieves half the prospective hit rate of DOCK3 at 6,700-fold higher cost, but excels as a post-docking filter.

The paper introduces CombiDOCK and MINT-Dock to efficiently screen large molecule libraries for ligand discovery, achieving high hit rates and computational efficiency.

The paper uses structure-based virtual screening to identify novel CaSR PAMs with higher potency and reduced side effects compared to existing drugs.

Affinity-purification mass spectrometry of 26 SARS-CoV-2 proteins in HEK293T cells yields 332 high-confidence host interactions and 67 druggable human proteins with known compounds.