Ligand binding can change the p K a of protein residues and influence enzyme catalysis.
Herein, we report three ultrahigh resolution X-ray crystal structures of CTX-M β-lactamase …

Hydrogen bonding interactions are one of the most important chemical interactions among
materials, especially biological materials, which help confer specificity, which is crucial for …

Nitrogenase contains a well defined and conserved chain of water molecules leading to the
FeMo cofactor (FeMo-co, an [Fe7MoCS9] cluster with bidentate chelation of Mo by …

Serine proteases are one of the largest groups of enzymes, found in both eukaryotes and
prokaryotes, and are responsible for many different functions. The detailed information about …

In this work, we discussed the vaporization and gas species of ionic liquids (ILs) by a cluster
approach of quantum statistical thermodynamics proposed by R. Luwig (Phys. Chem. Chem …

DNA polymerases require two divalent metal ions in the active site for catalysis. Mg2+ has
been confirmed to be the most probable cation utilized by most polymerases in vivo. Other …

The high diastereoselectivity of the hydrogenation of artemisinate by diazene to form
dihydroartemisinate (diastereoselective ratio, dr, 97: 3) necessary for efficient production of …

A prospective novel organocatalyst scaffold has been investigated by computational studies
for its potential to induce stereoselective reactions. Density functional theory calculations …

Experimental and topological analyses of dipalladium (II) complexes with
pyrazinetetracarboxamide ligands containing tetraethyl (1), tetrahexyl (2), and tetrakis (2 …

From computational chemistry simulations, a ligand has emerged that could be selective of
Pb2+ toward Zn2+ and Ca2+, an important point when designing new chelators usable in …