Binju Wang

EzHit retrieves enzyme-reaction associations efficiently, outperforming baselines and enabling large-scale metagenomic biocatalyst discovery.

This paper demonstrates the use of SHINERS to visualize reactive metalloenzyme intermediates under aqueous conditions, revealing coordination states and mechanisms in several enzymes.

This paper investigates the catalytic mechanism of hyoscyamine 6β-hydroxylase, revealing that metal coordination dynamics govern selectivity between hydroxylation and epoxidation reactions.

This paper demonstrates that heme-dependent tyrosine hydroxylase can efficiently synthesize L-DOPA using ascorbate/O2 instead of H2O2, achieving high conversion rates and stability.

This study determines the crystal structures of bacterial hydrazine synthetases and elucidates their mechanism, enabling the expansion of hydrazine biosynthesis through novel enzyme discovery and chemoenzymatic synthesis.

This paper identifies the enzymatic mechanism for forming the gamma-thiolactone ring in thiolactomycin biosynthesis, revealing the roles of TlnCCy and TlnA.

GraphKcat predicts enzyme kinetic parameters by integrating 3D binding conformations and multi-scale graph learning, achieving robust performance even under low sequence similarity conditions.

This study reveals that CYP152 peroxygenases can degrade aromatic pollutants without a carboxyl group, showing new substrate recognition and catalytic mechanisms.

This paper identifies an O2/reductant-dependent catalytic pathway in heme peroxygenases that avoids H2O2-induced inactivation, enabling efficient and sustainable chemical transformations.

This paper introduces a photoenzymatic system for enantioselective hydroalkylation of C(sp3)-H bonds using a flavin-dependent ene-reductase and fluorescein, achieving atom-economic and enantiodivergent reactions.

ApoDock improves molecular docking by combining machine learning-driven sidechain packing with traditional sampling to generate physically plausible protein-ligand poses.