Molecular basis of enzymatic nitrogen-nitrogen formation by a family of zinc-binding cupin enzymes

Prediction of Binding Free Energy of Protein-Ligand Complexes with a Hybrid Molecular Mechanics/Generalized Born Surface Area and Machine Learning Method

Editorial: Molecular Dynamics Simulations of Metalloproteins and Metalloenzymes

Explore the interaction mechanism between zein and EGCG using multi-spectroscopy and molecular dynamics simulation methods

Super-exchange and exchange-enhanced reactivity in Fe4S4-mediated activation of SAM by radical SAM enzymes

The molecular mechanism of P450-catalyzed amination of the pyrrolidine derivative of lidocaine: insights from multiscale simulations

Unraveling the mechanism of latex clearing protein LcpK30 catalysed oxidative cleavage of poly(cis-1,4-isoprene)

Conformational Change of H64 and Substrate Transportation: Insight Into a Full Picture of Enzymatic Hydration of CO2 by Carbonic Anhydrase

CO2(aq) concentration-dependent CO2 fixation via carboxylation by decarboxylase

Exploring the Potential of Cytochrome P450 CYP109B1 Catalyzed Regio-and Stereoselective Steroid Hydroxylation

How Oxygen Binding Enhances Long-Range Electron Transfer: Lessons From Reduction of Lytic Polysaccharide Monooxygenases by Cellobiose Dehydrogenase

Conformational Motion of Ferredoxin Enables Efficient Electron Transfer to Heme in the Full-Length P450(TT)

One-Pot Enzymatic-Chemical Cascade Route for Synthesizing Aromatic alpha-Hydroxy Ketones

Deciphering the oxygen activation mechanism at the Cu-C site of particulate methane monooxygenase

Spin-Regulated Inner-Sphere Electron Transfer Enables Efficient O-O Bond Activation in Nonheme Diiron Monooxygenase MIOX

Unexpected Reactions of alpha,beta-Unsaturated Fatty Acids Provide Insight into the Mechanisms of CYP152 Peroxygenases

Spin-Regulated Electron Transfer and Exchange-Enhanced Reactivity in Fe4S4-Mediated Redox Reaction of the Dph2 Enzyme During the Biosynthesis of Diphthamide

Cobalt Carbonyls Stabilized by N,P-Ligands: Synthesis, Structure, and Catalytic Property for Ethylene Oxide Hydroalkoxycarbonylation

Local Electric Field Modulated Reactivity of Pseudomonas aeruginosa Acid Phosphatase for Enhancing Phosphorylation of L-Ascorbic Acid

Bronsted Acid Catalyzed Dearomatization by Intramolecular Hydroalkoxylation/Claisen Rearrangement: Diastereo- and Enantioselective Synthesis of Spirolactams

Structural Insight into the Catalytic Mechanism of the Endoperoxide Synthase FtmOx1

Radical S-Adenosyl Methionine Enzyme BlsE Catalyzes a Radical-Mediated 1,2-Diol Dehydration during the Biosynthesis of Blasticidin S